ATcT [1 , 2 ] enthalpies of formation based on version 1.122q of the Thermochemical Network [3 ]
Below is a list of 0 K and 298.15 K enthalpies of formation
for all 1790 species included in version This version of ATcT results was generated from an expansion of version 1.122p [4 ] to include an updated enthalpy of formation for oxalic acid . [5 ] and additional high-level computations on methyl peroxy radical [6 ].
The elements in their standard states are listed first; the listing order of the other species follows the actual order from the ATcT solution file,
which roughly reflects the number of thermochemically-relevant determinations that include the species in question (highest first).
The intent is to convey a very approximate indication of the robustness of the listed values, which is generally higher toward the top of the list
and lower toward the bottom.
For species other than elements in their standard states, the Species Name acts as a link to the page
itemizing the most important contributors to the provenance of its ATcT enthalpy of formation, other highly correlated chemical species, and high-leverage reactions in the Thermochemical Network.
(Please note that, as opposed to traditional sequential thermochemistry where the provenance of a given enthalpy of formation is typically a single measurement,
the provenances of ATcT enthalpies of formation, which are obtained by analysing and solving a large Thermochemical Network, are normally quite distributed.)
If you find Active Thermochemical Tables useful in your research, please cite this website as given in Ref. [3 ], and, if possible, the ATcT approach as given in Refs. [1 ] and [2 ].
Reaction Search
The stoichiometry represents fractions as decimals, e.g. 0.5 O2, 1 H2, 1 H2O would represent 1/2 O2 + H2 → H2O
Species Name
Preferred Formula
Image
Δf H°(0 K)
Δf H°(298.15 K)
Uncertainty
Units
Relative Molecular Mass
ATcT ID
Dihydrogen H2 (g) 0 0 exact 2.01588 ± 0.00014 1333-74-0*0 Helium He (g) 0 0 exact 4.0026020 ± 0.0000020 7440-59-7*0 Carbon atom C (graphite) 0 0 exact 12.01070 ± 0.00080 7440-44-0*500 Dinitrogen N2 (g) 0 0 exact 28.01348 ± 0.00014 7727-37-9*0 Dioxygen O2 (g) 0 0 exact 31.99880 ± 0.00060 7782-44-7*0 Difluorine F2 (g) 0 0 exact 37.9968064 ± 0.0000010 7782-41-4*0 Neon Ne (g) 0 0 exact 20.17970 ± 0.00060 7440-01-9*0 Silicon Si (cr,l) 0 0 exact 28.08550 ± 0.00030 7440-21-3*500 Dichlorine Cl2 (g) 0 0 exact 70.9054 ± 0.0018 7782-50-5*0 Argon Ar (g) 0 0 exact 39.94800 ± 0.00100 7440-37-1*0 Dibromine Br2 (cr,l) 0 0 exact 159.8080 ± 0.0020 7726-95-6*500 Krypton Kr (g) 0 0 exact 83.8000 ± 0.1000 7439-90-9*0 Diiodine I2 (cr,l) 0 0 exact 253.808940 ± 0.000060 7553-56-2*500 Xenon Xe (g) 0 0 exact 131.2900 ± 0.0200 7440-63-3*0 Deuterium molecule D2 (g) 0 0 exact 4.02820355600 ± 0.00000000080 7782-39-0*0 Hydrogen atom H (g) 216.034 217.998 ± 0.000 kJ/mol 1.007940 ± 0.000070 12385-13-6*0 Carbon atom C (g) 711.397 716.882 ± 0.047 kJ/mol 12.01070 ± 0.00080 7440-44-0*0 Oxygen atom O (g) 246.844 249.229 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*0 Nitrogen atom N (g) 470.579 472.442 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*0 Carbon dioxide CO2 (g) -393.108 -393.474 ± 0.015 kJ/mol 44.00950 ± 0.00100 124-38-9*0 Methane CH4 (g) -66.560 -74.529 ± 0.050 kJ/mol 16.04246 ± 0.00085 74-82-8*0 Chlorine atom Cl (g) 119.621 121.302 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*0 Ethane CH3CH3 (g) -68.39 -84.02 ± 0.13 kJ/mol 30.0690 ± 0.0017 74-84-0*0 Fluorine atom F (g) 77.262 79.368 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*0 Water H2O (cr,l) -286.302 -285.830 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*500 Water H2O (g) -238.932 -241.835 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*0 Hydron H+ (g) 1528.084 1530.047 ± 0.000 kJ/mol 1.007391 ± 0.000070 12408-02-5*0 Ethylene CH2CH2 (g) 60.84 52.33 ± 0.12 kJ/mol 28.0532 ± 0.0016 74-85-1*0 Bromine atom Br (g) 117.917 111.855 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*0 Methyl CH3 (g) 149.864 146.449 ± 0.056 kJ/mol 15.03452 ± 0.00083 2229-07-4*0 Methanol CH3OH (g) -190.06 -200.95 ± 0.16 kJ/mol 32.04186 ± 0.00090 67-56-1*0 Propane CH3CH2CH3 (g) -82.80 -105.08 ± 0.18 kJ/mol 44.0956 ± 0.0025 74-98-6*0 Hydroxyl OH (g) 37.249 37.488 ± 0.026 kJ/mol 17.00734 ± 0.00031 3352-57-6*0 Hydrogen chloride HCl (g) -91.989 -92.173 ± 0.0062 kJ/mol 36.46064 ± 0.00090 7647-01-0*0 Carbon monoxide CO (g) -113.803 -110.523 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*0 Formaldehyde CH2O (g) -105.378 -109.217 ± 0.097 kJ/mol 30.02598 ± 0.00087 50-00-0*0 Ethanol CH3CH2OH (g) -217.32 -235.04 ± 0.22 kJ/mol 46.0684 ± 0.0017 64-17-5*0 Hydrogen fluoride HF (g) -272.670 -272.717 ± 0.048 kJ/mol 20.006343 ± 0.000070 7664-39-3*0 Acetylene HCCH (g) 228.82 228.26 ± 0.13 kJ/mol 26.0373 ± 0.0016 74-86-2*0 Hydrogen bromide HBr (g) -27.66 -35.51 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*0 Ammonia NH3 (g) -38.565 -45.558 ± 0.029 kJ/mol 17.03056 ± 0.00022 7664-41-7*0 Iodine I (g) 107.157 106.757 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*0 Ethyl CH3CH2 (g) 131.02 119.95 ± 0.26 kJ/mol 29.0611 ± 0.0016 2025-56-1*0 Hydrogen cyanide HCN (g) 129.660 129.276 ± 0.090 kJ/mol 27.02538 ± 0.00081 74-90-8*0 Nitric oxide NO (g) 90.619 91.123 ± 0.065 kJ/mol 30.00614 ± 0.00031 10102-43-9*0 Chloromethane CH3Cl (g) -74.32 -82.25 ± 0.25 kJ/mol 50.4872 ± 0.0012 74-87-3*0 Propene CH3CHCH2 (g) 34.89 19.89 ± 0.20 kJ/mol 42.0797 ± 0.0024 115-07-1*0 Nitrogen dioxide ONO (g) 36.859 34.052 ± 0.065 kJ/mol 46.00554 ± 0.00060 10102-44-0*0 Hydrogen iodide HI (g) 28.646 26.470 ± 0.036 kJ/mol 127.912410 ± 0.000076 10034-85-2*0 Benzene C6H6 (g) 100.61 83.10 ± 0.23 kJ/mol 78.1118 ± 0.0048 71-43-2*0 Hydroxyde [OH]- (g) -139.093 -139.059 ± 0.026 kJ/mol 17.00789 ± 0.00031 14280-30-9*0 Dioxidanyl HO2 (g) 15.12 12.22 ± 0.15 kJ/mol 33.00674 ± 0.00060 3170-83-0*0 Acetaldehyde CH3CHO (g) -155.08 -165.56 ± 0.25 kJ/mol 44.0526 ± 0.0017 75-07-0*0 Fluoromethane CH3F (g) -227.45 -235.48 ± 0.23 kJ/mol 34.03292 ± 0.00083 593-53-3*0 Hydrogen peroxide H2O2 (g) -129.479 -135.465 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*0 Propyne CH3CCH (g) 192.74 185.68 ± 0.23 kJ/mol 40.0639 ± 0.0024 74-99-7*0 Bromomethane CH3Br (g) -20.27 -35.67 ± 0.26 kJ/mol 94.9385 ± 0.0013 74-83-9*0 n-Butane CH3CH2CH2CH3 (g) -98.47 -125.78 ± 0.25 kJ/mol 58.1222 ± 0.0033 106-97-8*0 Methylene CH2 (g, singlet) 428.72 429.13 ± 0.11 kJ/mol 14.02658 ± 0.00081 2465-56-7*2 Formic acid HC(O)OH (g, syn) -371.11 -378.43 ± 0.22 kJ/mol 46.0254 ± 0.0010 64-18-6*1 Methylene CH2 (g, triplet) 391.060 391.617 ± 0.097 kJ/mol 14.02658 ± 0.00081 2465-56-7*1 Hypochlorous acid HOCl (g) -73.869 -76.808 ± 0.027 kJ/mol 52.46004 ± 0.00095 7790-92-3*0 Tetrafluoromethane CF4 (g) -927.49 -933.46 ± 0.25 kJ/mol 88.00431 ± 0.00080 75-73-0*0 Vinyl CH2CH (g) 301.16 296.96 ± 0.32 kJ/mol 27.0452 ± 0.0016 2669-89-8*0 Dibromine Br2 (g) 45.68 30.89 ± 0.12 kJ/mol 159.8080 ± 0.0020 7726-95-6*0 Acetone CH3C(O)CH3 (g) -200.11 -216.80 ± 0.36 kJ/mol 58.0791 ± 0.0025 67-64-1*0 Tetrachloromethane CCl4 (g) -93.42 -95.59 ± 0.43 kJ/mol 153.8215 ± 0.0037 56-23-5*0 Methylamine CH3NH2 (g) -6.62 -21.33 ± 0.26 kJ/mol 31.05714 ± 0.00088 74-89-5*0 Fluoride F- (g) -250.903 -249.118 ± 0.048 kJ/mol 18.99895178 ± 0.00000050 16984-48-8*0 Ketene CH2CO (g) -45.35 -48.47 ± 0.11 kJ/mol 42.0367 ± 0.0016 463-51-4*0 Chloroethane CH3CH2Cl (g) -96.90 -111.48 ± 0.26 kJ/mol 64.5138 ± 0.0019 75-00-3*0 Phenyl C6H5 (g) 350.41 337.05 ± 0.52 kJ/mol 77.1039 ± 0.0048 2396-01-2*0 Allene CH2CCH2 (g) 197.30 189.82 ± 0.25 kJ/mol 40.0639 ± 0.0024 463-49-0*0 Methylidyne CH (g) 592.820 596.154 ± 0.098 kJ/mol 13.01864 ± 0.00080 3315-37-5*0 Methoxide [CH3O]- (g) -122.63 -130.36 ± 0.28 kJ/mol 31.03447 ± 0.00088 3315-60-4*0 Nitrilomethyl CN (g) 436.75 440.04 ± 0.14 kJ/mol 26.01744 ± 0.00080 2074-87-5*0 Acetonitrile CH3CN (g) 81.10 74.04 ± 0.25 kJ/mol 41.0520 ± 0.0016 75-05-8*0 1,3-Butadiene CH2CHCHCH2 (g) 125.29 110.81 ± 0.34 kJ/mol 54.0904 ± 0.0032 106-99-0*0 Oxonium [H3O]+ (g) 605.85 599.10 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*0 Diiodine I2 (g) 65.497 62.417 ± 0.0041 kJ/mol 253.808940 ± 0.000060 7553-56-2*0 Methoxy CH3O (g) 28.76 21.39 ± 0.28 kJ/mol 31.03392 ± 0.00088 2143-68-2*0 Acetic acid CH3C(O)OH (g, syn) -418.86 -432.98 ± 0.42 kJ/mol 60.0520 ± 0.0017 64-19-7*1 Ozone OOO (g) 144.397 141.735 ± 0.039 kJ/mol 47.99820 ± 0.00090 10028-15-6*0 Toluene C6H5CH3 (g) 73.29 50.00 ± 0.34 kJ/mol 92.1384 ± 0.0056 108-88-3*0 Fluoroform CHF3 (g) -689.04 -695.99 ± 0.41 kJ/mol 70.01385 ± 0.00080 75-46-7*0 Trifluoromethyl CF3 (g) -464.95 -467.74 ± 0.48 kJ/mol 69.00591 ± 0.00080 2264-21-3*0 Ethylium [CH3CH2]+ (g) 914.92 902.85 ± 0.30 kJ/mol 29.0606 ± 0.0016 14936-94-8*0 Phenol C6H5OH (g) -74.80 -93.39 ± 0.63 kJ/mol 94.1112 ± 0.0048 108-95-2*0 Hydroxymethyl CH2OH (g) -10.49 -16.80 ± 0.28 kJ/mol 31.03392 ± 0.00088 2597-43-5*0 Chloride Cl- (g) -228.953 -227.346 ± 0.0021 kJ/mol 35.45325 ± 0.00090 16887-00-6*0 Bromide Br- (g) -206.620 -212.682 ± 0.056 kJ/mol 79.90455 ± 0.00100 24959-67-9*0 Hypobromous acid HOBr (g) -51.53 -62.01 ± 0.47 kJ/mol 96.9113 ± 0.0010 13517-11-8*0 Formyl HCO (g) 41.392 41.768 ± 0.097 kJ/mol 29.01804 ± 0.00086 2597-44-6*0 iso-Butane CH(CH3)3 (g) -106.02 -134.63 ± 0.30 kJ/mol 58.1222 ± 0.0033 75-28-5*0 Chlorooxidanyl ClO (g) 101.125 101.716 ± 0.035 kJ/mol 51.45210 ± 0.00095 14989-30-1*0 Oxomethylium [HCO]+ (g) 827.768 827.183 ± 0.097 kJ/mol 29.01749 ± 0.00086 17030-74-9*0 Methyl hydroperoxide CH3OOH (g) -115.17 -127.99 ± 0.50 kJ/mol 48.0413 ± 0.0010 3031-73-0*0 Imidogen NH (g) 358.74 358.78 ± 0.16 kJ/mol 15.014680 ± 0.000099 13774-92-0*0 Propargyl CH2CCH (g) 353.97 351.37 ± 0.35 kJ/mol 39.0559 ± 0.0024 2932-78-7*0 Dioxymethyl CH2OO (g) 111.84 104.84 ± 0.62 kJ/mol 46.0254 ± 0.0010 56077-92-0*0 Difluorophosgene CF2O (g) -603.34 -606.44 ± 0.41 kJ/mol 66.00691 ± 0.00085 353-50-4*0 Formamide CH(O)NH2 (g) -178.54 -188.90 ± 0.36 kJ/mol 45.04066 ± 0.00088 75-12-7*0 Cyanoacetylene HCCCN (g) 372.00 373.74 ± 0.64 kJ/mol 51.0468 ± 0.0024 1070-71-9*0 Nitric acid HON(O)O (g) -124.49 -134.20 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*0 Amidogen NH2 (g) 188.91 186.02 ± 0.11 kJ/mol 16.02262 ± 0.00016 13770-40-6*0 Allyl CH2CHCH2 (g) 179.97 168.25 ± 0.44 kJ/mol 41.0718 ± 0.0024 1981-80-2*0 Ethenol CH2CHOH (g, syn) -113.12 -124.30 ± 0.52 kJ/mol 44.0526 ± 0.0017 557-75-5*1 Vinyl chloride CH2CHCl (g) 29.27 21.69 ± 0.30 kJ/mol 62.4979 ± 0.0018 75-01-4*0 Methylium [CH3]+ (g) 1099.336 1095.393 ± 0.051 kJ/mol 15.03397 ± 0.00083 14531-53-4*0 Iodide I- (g) -187.995 -188.396 ± 0.0021 kJ/mol 126.905019 ± 0.000030 20461-54-5*0 Cyanogen chloride ClCN (g) 134.97 135.66 ± 0.46 kJ/mol 61.4701 ± 0.0012 506-77-4*0 Methylperoxy CH3OO (g) 22.05 12.60 ± 0.37 kJ/mol 47.0333 ± 0.0010 2143-58-0*0 Hydroxyformyl HOCO (g, trans) -181.13 -184.09 ± 0.44 kJ/mol 45.0174 ± 0.0010 2564-86-5*1 Isocyanic acid HNCO (g) -115.98 -118.97 ± 0.30 kJ/mol 43.02478 ± 0.00086 75-13-8*0 Hypofluorous acid HOF (g) -84.39 -87.29 ± 0.19 kJ/mol 36.00574 ± 0.00031 14034-79-8*0 Hydrogen chloride HCl (aq, 600 H2O) -166.452 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*834 Ethoxide [CH3CH2O]- (g) -163.87 -178.81 ± 0.48 kJ/mol 45.0610 ± 0.0017 16331-64-9*0 Dichloromethane CH2Cl2 (g) -86.54 -93.40 ± 0.52 kJ/mol 84.9320 ± 0.0020 75-09-2*0 Chlorobenzene C6H5Cl (g) 67.14 52.18 ± 0.61 kJ/mol 112.5566 ± 0.0049 108-90-7*0 Cyanogen bromide BrCN (g) 187.0 180.5 ± 1.1 kJ/mol 105.9214 ± 0.0013 506-68-3*0 Iodomethane CH3I (g) 24.51 14.97 ± 0.18 kJ/mol 141.93899 ± 0.00083 74-88-4*0 Trihydrogen cation [H3]+ (g) 1110.304 1106.696 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*0 Oxygen atom anion O- (g) 105.868 108.097 ± 0.0021 kJ/mol 15.99995 ± 0.00030 14337-01-0*0 n-Propyl CH3CH2CH2 (g) 118.21 100.81 ± 0.52 kJ/mol 43.0877 ± 0.0024 2143-61-5*0 Acetyl CH3CO (g) -3.60 -10.26 ± 0.33 kJ/mol 43.0446 ± 0.0016 3170-69-2*0 iso-Propyl CH3CHCH3 (g) 105.19 88.31 ± 0.50 kJ/mol 43.0877 ± 0.0024 2025-55-0*0 2-Hydroxyethyl CH2CH2OH (g, gauche-syn) -13.35 -26.62 ± 0.56 kJ/mol 45.0605 ± 0.0017 4422-54-2*1 Tetrabromomethane CBr4 (g) 133.5 103.8 ± 1.3 kJ/mol 331.6267 ± 0.0041 558-13-4*0 Difluoromethane CH2F2 (g) -443.14 -450.75 ± 0.33 kJ/mol 52.02339 ± 0.00081 75-10-5*0 Oxygen difluoride FOF (g) 26.82 24.57 ± 0.24 kJ/mol 53.99621 ± 0.00030 7783-41-7*0 Hypochlorite [ClO]- (g) -118.60 -118.33 ± 0.13 kJ/mol 51.45265 ± 0.00095 14380-61-1*0 Nitrosyl hydride HNO (g) 109.93 106.96 ± 0.11 kJ/mol 31.01408 ± 0.00032 14332-28-6*0 Isocyanomethane CH3NC (g) 183.52 176.97 ± 0.59 kJ/mol 41.0520 ± 0.0016 593-75-9*0 Cyclopropane CH2(CH2CH2) (g) 70.97 53.84 ± 0.40 kJ/mol 42.0797 ± 0.0024 75-19-4*0 Propynylidene HCCCH (g, triplet) 543.39 546.39 ± 0.63 kJ/mol 38.0480 ± 0.0024 67152-18-5*1 Cyclopentadiene CH2(CHCHCHCH) (g) 151.19 134.07 ± 0.64 kJ/mol 66.1011 ± 0.0040 542-92-7*0 Chloroform CHCl3 (g) -97.17 -102.07 ± 0.50 kJ/mol 119.3767 ± 0.0028 67-66-3*0 Fluoromethylidyne CF (g) 243.14 246.74 ± 0.12 kJ/mol 31.00910 ± 0.00080 3889-75-6*0 Acrylonitrile CH2CHCN (g, singlet) 193.75 186.99 ± 0.66 kJ/mol 53.0627 ± 0.0024 107-13-1*1 Methanimine CH2NH (g) 96.47 88.56 ± 0.40 kJ/mol 29.04126 ± 0.00083 2053-29-4*0 Nitrous acid HONO (g, trans) -73.005 -79.148 ± 0.079 kJ/mol 47.01348 ± 0.00061 7782-77-6*1 1,2-Propadiene-1,3-diylidene CCC (g) 814.68 823.63 ± 0.55 kJ/mol 36.0321 ± 0.0024 12075-35-3*0 Cyanic fluoride FCN (g) 8.77 9.10 ± 0.69 kJ/mol 45.01584 ± 0.00080 1495-50-7*0 1-Hydroxyethyl CH3CHOH (g, gauche-anti) -42.76 -56.19 ± 0.58 kJ/mol 45.0605 ± 0.0017 2348-46-1*1 Formate [HC(O)O]- (g) -463.25 -466.89 ± 0.56 kJ/mol 45.0180 ± 0.0010 71-47-6*0 Methyl formate HC(O)OCH3 (g, syn) -346.88 -359.93 ± 0.84 kJ/mol 60.0520 ± 0.0017 107-31-3*1 Oxygen atom cation O+ (g) 1560.786 1562.644 ± 0.0021 kJ/mol 15.99885 ± 0.00030 14581-93-2*0 Tetrafluoroethylene CF2CF2 (g) -670.99 -674.40 ± 0.53 kJ/mol 100.0150 ± 0.0016 116-14-3*0 Chlorotrifluoromethane CF3Cl (g) -704.53 -709.64 ± 0.57 kJ/mol 104.4586 ± 0.0012 75-72-9*0 Ethyl bromide CH3CH2Br (g) -41.16 -63.11 ± 0.25 kJ/mol 108.9651 ± 0.0019 74-96-4*0 Vinyl bromide CH2CHBr (g) 88.64 73.83 ± 0.58 kJ/mol 106.9492 ± 0.0019 593-60-2*0 Chlorine fluoride ClF (g) -55.614 -55.709 ± 0.055 kJ/mol 54.45110 ± 0.00090 7790-89-8*0 Diazynium [NNH]+ (g) 1042.43 1038.82 ± 0.68 kJ/mol 29.02087 ± 0.00016 12357-66-3*0 Nitrite [ONO]- (g) -182.63 -185.44 ± 0.46 kJ/mol 46.00609 ± 0.00060 14797-65-0*0 Hydroxylamine NH2OH (g, trans) -33.12 -43.50 ± 0.45 kJ/mol 33.02996 ± 0.00037 7803-49-8*1 n-Butyl CH3CH2CH2CH2 (g) 102.71 80.20 ± 0.71 kJ/mol 57.1143 ± 0.0033 2492-36-6*0 Hydride H- (g) 143.264 145.228 ± 0.000 kJ/mol 1.008489 ± 0.000070 12184-88-2*0 Methoxymethane CH3OCH3 (g) -166.47 -183.98 ± 0.40 kJ/mol 46.0684 ± 0.0017 115-10-6*0 Methyl acetate CH3C(O)OCH3 (g, syn) -394.29 -413.16 ± 0.61 kJ/mol 74.0785 ± 0.0025 79-20-9*1 Phosgene CCl2O (g) -217.45 -219.14 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*0 Vinyl fluoride CH2CHF (g) -134.60 -142.40 ± 0.45 kJ/mol 46.0436 ± 0.0016 75-02-5*0 Phenylium [C6H5]+ (g) 1148.42 1135.64 ± 0.85 kJ/mol 77.1034 ± 0.0048 17333-73-2*0 Fluorooxidanyl FO (g) 110.27 110.90 ± 0.15 kJ/mol 34.99780 ± 0.00030 12061-70-0*0 Hypoiodous acid HOI (g) -54.2 -58.9 ± 3.1 kJ/mol 143.91181 ± 0.00031 14332-21-9*0 Methanium [CH5]+ (g) 921.91 911.67 ± 0.45 kJ/mol 17.04985 ± 0.00087 15135-49-6*0 Oxirane O(CH2CH2) (g) -40.07 -52.61 ± 0.37 kJ/mol 44.0526 ± 0.0017 75-21-8*0 Ethynyl CCH (g) 563.87 567.98 ± 0.14 kJ/mol 25.0293 ± 0.0016 2122-48-7*0 Cyclopropene CH2(CHCH) (g) 292.27 283.54 ± 0.48 kJ/mol 40.0639 ± 0.0024 2781-85-3*0 cis-2-Butene CH3CHCHCH3 (g, cis) 14.20 -7.08 ± 0.41 kJ/mol 56.1063 ± 0.0032 590-18-1*0 Ethynide [CCH]- (g) 277.41 280.82 ± 0.18 kJ/mol 25.0299 ± 0.0016 29075-95-4*0 Formic acid HC(O)OH (g, anti) -354.76 -361.86 ± 0.38 kJ/mol 46.0254 ± 0.0010 64-18-6*2 Methanetetraylbisamidogen NCN (g) 450.42 450.83 ± 0.64 kJ/mol 40.02418 ± 0.00081 2669-76-3*0 Fluoroethane CH3CH2F (g) -257.24 -272.11 ± 0.36 kJ/mol 48.0595 ± 0.0016 353-36-6*0 Bromotrifluoromethane CF3Br (g) -638.88 -651.00 ± 0.45 kJ/mol 148.9099 ± 0.0013 75-63-8*0 Phenide [C6H5]- (g) 244.34 230.91 ± 0.39 kJ/mol 77.1044 ± 0.0048 30922-78-2*0 Fluorobenzene C6H5F (g) -99.09 -114.76 ± 0.89 kJ/mol 96.1023 ± 0.0048 462-06-6*0 Nitromethane CH3N(O)O (g) -60.82 -74.72 ± 0.46 kJ/mol 61.0401 ± 0.0010 75-52-5*0 Acrylonitrile CH2CHCN (g) 193.75 186.99 ± 0.66 kJ/mol 53.0627 ± 0.0024 107-13-1*0 Chlorine dioxide OClO (g) 101.33 98.86 ± 0.27 kJ/mol 67.4515 ± 0.0011 10049-04-4*0 Dioxygen cation [O2]+ (g) 1164.585 1165.221 ± 0.0092 kJ/mol 31.99825 ± 0.00060 12185-07-8*0 Ethynylene C2 (g) 820.33 828.79 ± 0.26 kJ/mol 24.0214 ± 0.0016 12070-15-4*0 Methylidyne CH (g, quartet) 664.55 667.88 ± 0.59 kJ/mol 13.01864 ± 0.00080 3315-37-5*2 Ethanide [CH3CH2]- (g) 155.25 144.17 ± 0.89 kJ/mol 29.0616 ± 0.0016 25013-41-6*0 Aminomethyl CH2NH2 (g) 159.20 149.36 ± 0.38 kJ/mol 30.04920 ± 0.00085 10507-29-6*0 Cyanide [CN]- (g) 63.956 67.242 ± 0.094 kJ/mol 26.01799 ± 0.00080 57-12-5*0 Cyanomethyl CH2CN (g) 263.39 260.51 ± 0.69 kJ/mol 40.0440 ± 0.0016 2932-82-3*0 Peroxyformic acid HC(O)OOH (g, cis) -279.38 -288.73 ± 0.88 kJ/mol 62.0248 ± 0.0012 107-32-4*1 Propadienylidene CH2CC (g) 554.37 555.52 ± 0.41 kJ/mol 38.0480 ± 0.0024 60731-10-4*0 Isobutene CH2C(CH3)2 (g) 4.05 -17.02 ± 0.40 kJ/mol 56.1063 ± 0.0032 115-11-7*0 Ethoxy CH3CH2O (g, X 2A") 1.27 -12.64 ± 0.47 kJ/mol 45.0605 ± 0.0017 2154-50-9*51 Cyanooxidanyl NCO (g) 126.92 127.39 ± 0.34 kJ/mol 42.01684 ± 0.00086 22400-26-6*0 Phenolate [C6H5O]- (g) -146.63 -162.10 ± 0.84 kJ/mol 93.1038 ± 0.0048 3229-70-7*0 Dimethylamine (CH3)2NH (g) 3.83 -17.81 ± 0.46 kJ/mol 45.0837 ± 0.0017 124-40-3*0 Cyclopentadienyl CH(CHCHCHCH) (g) 274.51 261.39 ± 0.92 kJ/mol 65.0932 ± 0.0040 2143-53-5*0 Bromooxidanyl BrO (g) 131.15 123.61 ± 0.28 kJ/mol 95.9034 ± 0.0010 15656-19-6*0 Hypobromite [BrO]- (g) -96.14 -103.62 ± 0.53 kJ/mol 95.9039 ± 0.0010 14380-62-2*0 Hydrogen fluoride HF (aq) -334.50 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*800 Ammonium [NH4]+ (g) 643.02 631.71 ± 0.21 kJ/mol 18.03795 ± 0.00029 14798-03-9*0 (E)-Diazene HNNH (g, trans) 207.09 199.95 ± 0.41 kJ/mol 30.02936 ± 0.00020 15626-43-4*0 Fluorodioxidanyl FOO (g) 26.81 25.10 ± 0.26 kJ/mol 50.99720 ± 0.00060 15499-23-7*0 Peroxynitrous acid HOONO (g, cis, cis) -5.81 -14.25 ± 0.36 kJ/mol 63.01288 ± 0.00091 14691-52-2*3 Ethylidene CH3CH (g, singlet) 373.50 366.27 ± 0.65 kJ/mol 28.0532 ± 0.0016 4218-50-2*2 Cyanogen NCCN (g) 308.17 310.11 ± 0.41 kJ/mol 52.0349 ± 0.0016 460-19-5*0 1-Butene CH2CHCH2CH3 (g) 21.01 0.06 ± 0.36 kJ/mol 56.1063 ± 0.0032 106-98-9*0 n-Pentane CH3CH2CH2CH2CH3 (g) -114.41 -146.28 ± 0.31 kJ/mol 72.1488 ± 0.0041 109-66-0*0 Cyclopentane CH2(CH2CH2CH2CH2) (g) -43.87 -76.44 ± 0.39 kJ/mol 70.1329 ± 0.0041 287-92-3*0 Dichloromethylene CCl2 (g, singlet) 229.51 230.69 ± 0.64 kJ/mol 82.9161 ± 0.0020 1605-72-7*2 Trifluoromethylium [CF3]+ (g) 409.53 406.32 ± 0.47 kJ/mol 69.00536 ± 0.00080 18851-76-8*0 Difluorodioxidane FOOF (g) 35.28 31.55 ± 0.41 kJ/mol 69.99561 ± 0.00060 7783-44-0*0 Dioxidanide [HO2]- (g) -88.87 -91.53 ± 0.34 kJ/mol 33.00729 ± 0.00060 14691-59-9*0 Trioxidane HOOOH (g, trans) -82.01 -90.86 ± 0.63 kJ/mol 50.01408 ± 0.00091 14699-99-1*1 Azido radical NNN (g) 452.27 449.68 ± 0.60 kJ/mol 42.02022 ± 0.00021 12596-60-0*0 Nitrous oxide NNO (g) 85.997 82.568 ± 0.097 kJ/mol 44.01288 ± 0.00033 10024-97-2*0 Hydroxyoxomethylium [HOCO]+ (g) 600.62 597.54 ± 0.44 kJ/mol 45.0169 ± 0.0010 638-71-1*0 Hydroxyamidogen HNOH (g, trans) 101.36 94.53 ± 0.81 kJ/mol 32.02202 ± 0.00034 13940-32-4*1 Hydrazoic acid HNNN (g) 297.92 291.62 ± 0.49 kJ/mol 43.02816 ± 0.00022 7782-79-8*0 Water H2O (l) -285.830 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*590 Ethylidene CH3CH (g, triplet) 361.20 354.20 ± 0.51 kJ/mol 28.0532 ± 0.0016 4218-50-2*1 Vinylium [CH2CH]+ (g) 1119.01 1115.56 ± 0.57 kJ/mol 27.0447 ± 0.0016 14604-48-9*0 Vinylidene CCH2 (g) 411.18 412.09 ± 0.31 kJ/mol 26.0373 ± 0.0016 2143-69-3*0 Hydroxymethylium [CH2OH]+ (g) 717.65 709.71 ± 0.19 kJ/mol 31.03337 ± 0.00088 18682-95-6*0 Fluoroacetylene HCCF (g) 104.95 105.67 ± 0.40 kJ/mol 44.0277 ± 0.0016 2713-09-9*0 Peroxyformyl HC(O)OO (g, syn) -100.58 -105.89 ± 0.92 kJ/mol 61.0168 ± 0.0012 56240-83-6*1 n-Hexane CH3CH2CH2CH2CH2CH3 (g) -130.04 -166.91 ± 0.34 kJ/mol 86.1754 ± 0.0049 110-54-3*0 Ketenyl HCCO (g) 177.06 178.15 ± 0.55 kJ/mol 41.0287 ± 0.0016 51095-15-9*0 Formic acid HC(O)OH (g) -371.11 -378.40 ± 0.22 kJ/mol 46.0254 ± 0.0010 64-18-6*0 Methyl formate HC(O)OCH3 (g, anti) -326.7 -339.2 ± 1.1 kJ/mol 60.0520 ± 0.0017 107-31-3*2 Trichloromethyl CCl3 (g) 72.02 71.55 ± 0.84 kJ/mol 118.3688 ± 0.0028 3170-80-7*0 1,1-Dichloroethane CH3CHCl2 (g) -120.29 -133.07 ± 0.44 kJ/mol 98.9586 ± 0.0024 75-34-3*0 Bromoform CHBr3 (g) 75.7 49.5 ± 1.3 kJ/mol 252.7306 ± 0.0031 75-25-2*0 Bromobenzene C6H5Br (g) 126.7 104.6 ± 1.3 kJ/mol 157.0079 ± 0.0049 108-86-1*0 Benzaldehyde C6H5C(O)H (g) -19.34 -37.14 ± 0.92 kJ/mol 106.1219 ± 0.0056 100-52-7*0 Propionaldehyde CH3CH2CHO (g) -171.37 -186.78 ± 0.25 kJ/mol 58.0791 ± 0.0025 123-38-6*0 Isocyanoacetylene HCCNC (g) 484.5 486.7 ± 1.1 kJ/mol 51.0468 ± 0.0024 66723-45-3*0 Chlorous acid HOClO (g) 25.74 20.68 ± 0.63 kJ/mol 68.4594 ± 0.0011 13898-47-0*0 Iodooxidanyl IO (g) 126.97 125.04 ± 0.82 kJ/mol 142.90387 ± 0.00030 14696-98-1*0 Carbon monoxide cation [CO]+ (g) 1238.306 1241.586 ± 0.026 kJ/mol 28.00955 ± 0.00085 12144-04-6*0 Azanide [NH2]- (g) 114.76 111.89 ± 0.29 kJ/mol 16.02317 ± 0.00016 17655-31-1*0 Aminooxy NH2O (g) 70.92 64.32 ± 0.71 kJ/mol 32.02202 ± 0.00034 13408-29-2*0 Nitrate [ON(O)O]- (g) -300.30 -306.84 ± 0.60 kJ/mol 62.00549 ± 0.00090 14797-55-8*0 Hypofluorite [FO]- (g) -108.84 -108.67 ± 0.48 kJ/mol 34.99835 ± 0.00030 12763-66-5*0 2-Butyne CH3CCCH3 (g) 159.35 146.39 ± 0.52 kJ/mol 54.0904 ± 0.0032 503-17-3*0 Cyanogen iodide ICN (g) 222.6 222.0 ± 1.6 kJ/mol 152.92191 ± 0.00080 506-78-5*0 Formyl anion [HCO]- (g) 11.60 11.98 ± 0.44 kJ/mol 29.01859 ± 0.00086 57340-31-5*0 2-Propynylidyne CCCH (g) 717.99 722.35 ± 0.80 kJ/mol 37.0400 ± 0.0024 53590-28-6*0 Ethoxy CH3CH2O (g, A 2A') 5.53 -8.90 ± 0.47 kJ/mol 45.0605 ± 0.0017 2154-50-9*52 Dicarbon monoxide CCO (g, triplet) 377.12 381.16 ± 0.83 kJ/mol 40.0208 ± 0.0016 12071-23-7*1 Chloromethylene CHCl (g, singlet) 320.27 320.55 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*2 Dibromomethane CH2Br2 (g) 25.9 4.5 ± 1.1 kJ/mol 173.8346 ± 0.0022 74-95-3*0 1,1-Difluoroethene CH2CF2 (g) -343.57 -350.63 ± 0.77 kJ/mol 64.0341 ± 0.0016 75-38-7*0 3-Buten-2-one CH3C(O)CHCH2 (g, trans) -95.57 -111.81 ± 0.87 kJ/mol 70.0898 ± 0.0032 78-94-4*1 Urea NH2C(O)NH2 (g) -218.23 -234.63 ± 0.42 kJ/mol 60.05534 ± 0.00091 57-13-6*0 Oxomethaniminium [NH2CO]+ (g) 695.47 688.91 ± 0.88 kJ/mol 44.03217 ± 0.00087 59348-22-0*0 Chlorine trifluoride FCl(F)F (g) -158.6 -162.7 ± 1.2 kJ/mol 92.44791 ± 0.00090 7790-91-2*0 Iodine monochloride ICl (g) 19.024 17.391 ± 0.013 kJ/mol 162.35717 ± 0.00090 7790-99-0*0 Iodotrifluoromethane CF3I (g) -583.45 -589.33 ± 0.50 kJ/mol 195.91038 ± 0.00080 2314-97-8*0 Trinitrogen cation [NNN]+ (g) 1519.43 1516.80 ± 0.89 kJ/mol 42.01967 ± 0.00021 12185-03-4*0 Oxonitrate anion [NO]- (g) 88.09 88.13 ± 0.25 kJ/mol 30.00669 ± 0.00031 14967-78-3*0 Nitrosyl ion [NO]+ (g) 984.487 984.482 ± 0.065 kJ/mol 30.00559 ± 0.00031 14452-93-8*0 Nitrogen sesquioxide ONN(O)O (g) 90.72 86.15 ± 0.15 kJ/mol 76.01168 ± 0.00091 10544-73-7*0 Methylene anion [CH2]- (g) 328.17 328.60 ± 0.19 kJ/mol 14.02713 ± 0.00081 50928-07-9*0 Methylidyne anion [CH]- (g) 475.74 479.07 ± 0.22 kJ/mol 13.01919 ± 0.00080 28604-54-8*0 Ethanium [C2H7]+ (g, bridged C2) 874.32 858.06 ± 0.62 kJ/mol 31.0764 ± 0.0017 24669-33-8*1 Acetylium [CH3CO]+ (g) 666.46 659.17 ± 0.45 kJ/mol 43.0441 ± 0.0016 15762-07-9*0 Hydrogen isocyanide HNC (g) 191.94 192.32 ± 0.33 kJ/mol 27.02538 ± 0.00081 6914-07-4*0 Hydroxymethylene HCOH (g, trans) 112.67 108.90 ± 0.27 kJ/mol 30.02598 ± 0.00087 19710-56-6*1 Chloronium [HClH]+ (g) 881.3 878.2 ± 1.1 kJ/mol 37.46803 ± 0.00091 36658-55-6*0 Carbonic acid C(O)(OH)2 (g, cis-cis) -602.78 -612.95 ± 0.75 kJ/mol 62.0248 ± 0.0012 463-79-6*1 Hydrogen bromide HBr (aq) -120.65 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*800 Peroxyformate [HC(O)OO]- (g, syn) -341.14 -346.59 ± 0.95 kJ/mol 61.0174 ± 0.0012 104960-05-6*1 trans-2-Butene CH3CHCHCH3 (g, trans) 9.38 -11.18 ± 0.39 kJ/mol 56.1063 ± 0.0032 624-64-6*0 Isoprene CH2C(CH3)CHCH2 (g) 96.09 75.57 ± 0.67 kJ/mol 68.1170 ± 0.0040 78-79-5*0 1-Hydroxyethylium [CH3CHOH]+ (g, anti) 608.75 594.32 ± 0.39 kJ/mol 45.0600 ± 0.0017 18682-96-7*1 Ethynol HCCOH (g, singlet) 95.29 92.81 ± 0.80 kJ/mol 42.0367 ± 0.0016 32038-79-2*2 Formyloxidanyl HC(O)O (g, 2A1) -125.91 -127.57 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*1 Glyoxal OCHCHO (g, trans) -207.75 -213.38 ± 0.61 kJ/mol 58.0361 ± 0.0017 107-22-2*1 Trimethylamine (CH3)3N (g) 1.72 -27.14 ± 0.89 kJ/mol 59.1103 ± 0.0025 75-50-3*0 1,1,1-Trichloroethane CH3CCl3 (g) -134.33 -144.90 ± 0.48 kJ/mol 133.4033 ± 0.0031 71-55-6*0 Tetrachloroethene CCl2CCl2 (g) -22.3 -23.2 ± 1.1 kJ/mol 165.8322 ± 0.0039 127-18-4*0 Chlorodifluoromethane CHClF2 (g) -476.01 -482.20 ± 0.98 kJ/mol 86.4681 ± 0.0012 75-45-6*0 Fluoromethylene CHF (g, singlet) 148.38 148.67 ± 0.43 kJ/mol 32.01704 ± 0.00080 13453-52-6*2 Fluoroformyl FCO (g) -176.62 -176.03 ± 0.37 kJ/mol 47.00850 ± 0.00085 1871-24-5*0 2-Bromoethanol BrCH2CH2OH (g) -196.19 -220.25 ± 0.53 kJ/mol 124.9645 ± 0.0019 540-51-2*0 Carbon suboxide OCCCO (g) -94.9 -92.8 ± 1.2 kJ/mol 68.0309 ± 0.0025 504-64-3*0 Phenoxy C6H5O (g) 70.83 55.54 ± 0.84 kJ/mol 93.1033 ± 0.0048 2122-46-5*0 1-Cyanovinyl CH2CCN (g) 419.0 418.9 ± 1.1 kJ/mol 52.0547 ± 0.0024 15091-87-9*0 Cyanomethylene HCCN (g, triplet) 479.9 483.3 ± 1.1 kJ/mol 39.0361 ± 0.0016 2612-62-6*1 Phenylperoxy C6H5OO (g) 152.9 135.9 ± 1.4 kJ/mol 109.1027 ± 0.0049 91422-02-5*0 Bromonium [HBrH]+ (g) 925.3 914.5 ± 1.5 kJ/mol 81.9193 ± 0.0010 36658-54-5*0 Hydrazine NH2NH2 (g) 111.59 97.44 ± 0.43 kJ/mol 32.04524 ± 0.00031 302-01-2*0 Methanide [CH3]- (g) 141.10 137.66 ± 0.24 kJ/mol 15.03507 ± 0.00083 15194-58-8*0 Methyliumyl [CH2]+ (g) 1393.19 1394.05 ± 0.11 kJ/mol 14.02603 ± 0.00081 15091-72-2*0 Vinyl anion [CH2CH]- (g) 237.00 232.58 ± 0.82 kJ/mol 27.0458 ± 0.0016 25012-81-1*0 Ethylidyne CH3C (g, quartet) 640.7 636.1 ± 1.1 kJ/mol 27.0452 ± 0.0016 67624-57-1*2 Aminomethylium [CH2NH2]+ (g) 763.90 751.93 ± 0.65 kJ/mol 30.04865 ± 0.00085 488821-23-4*0 Isocyanomethanide [CH2NC]- (g) 253.8 250.7 ± 1.0 kJ/mol 40.0446 ± 0.0016 81704-80-5*0 1-Methylethylidene CH3CCH3 (g, singlet) 315.92 302.02 ± 0.99 kJ/mol 42.0797 ± 0.0024 40852-89-9*2 1-Methylethenyl CH3CCH2 (g) 263.00 252.61 ± 0.73 kJ/mol 41.0718 ± 0.0024 15552-77-9*0 Hydrogen chloride HCl (aq) -166.991 ± 0.023 kJ/mol 36.46064 ± 0.00090 7647-01-0*800 iso-Pentane CH3CH2CH(CH3)2 (g) -119.16 -153.21 ± 0.43 kJ/mol 72.1488 ± 0.0041 78-78-4*0 1-Hydroxyethyl CH3CHOH (g, gauche-syn) -41.32 -54.79 ± 0.80 kJ/mol 45.0605 ± 0.0017 2348-46-1*2 Protonated oxirane [(CH2CH2)OH]+ (g) 725.54 709.37 ± 0.62 kJ/mol 45.0600 ± 0.0017 *38607-31-7*0 Methanediol CH2(OH)2 (g, conrot gauche) -379.41 -393.61 ± 0.92 kJ/mol 48.0413 ± 0.0010 463-57-0*1 Trioxidanide [HOOO]- (g, gauche) -120.0 -123.1 ± 1.6 kJ/mol 49.00669 ± 0.00090 89965-38-8*2 Methoxyethane CH3CH2OCH3 (g) -194.38 -217.27 ± 0.57 kJ/mol 60.0950 ± 0.0025 540-67-0*0 Acetic acid CH3C(O)OH (g, anti) -397.87 -411.65 ± 0.83 kJ/mol 60.0520 ± 0.0017 64-19-7*2 Acetyl chloride CH3C(O)Cl (g) -232.59 -241.59 ± 0.33 kJ/mol 78.4973 ± 0.0019 75-36-5*0 Chlorohydroxymethyl CH(Cl)OH (g, syn-gauche) -54.8 -60.8 ± 1.1 kJ/mol 65.4787 ± 0.0012 147139-06-8*1 1,1-Dichloroethene CH2CCl2 (g) 8.94 2.95 ± 0.49 kJ/mol 96.9427 ± 0.0024 75-35-4*0 Hydrogen peroxide cation [H2O2]+ (g, trans) 897.23 890.25 ± 0.51 kJ/mol 34.01413 ± 0.00062 12325-10-9*1 Dichlorodifluoromethane CF2Cl2 (g) -489.46 -493.64 ± 0.67 kJ/mol 120.9129 ± 0.0020 75-71-8*0 Fluorodichloromethane CHFCl2 (g) -278.14 -283.59 ± 0.91 kJ/mol 102.9224 ± 0.0020 75-43-4*0 Difluoromethylene CF2 (g, singlet) -193.90 -193.43 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*2 Fluoromethylene CHF (g, triplet) 210.36 210.70 ± 0.66 kJ/mol 32.01704 ± 0.00080 13453-52-6*1 Formyl fluoride CHFO (g) -378.63 -382.22 ± 0.31 kJ/mol 48.01644 ± 0.00086 1493-02-3*0 Benzyl C6H5CH2 (g) 229.96 211.15 ± 0.60 kJ/mol 91.1305 ± 0.0056 2154-56-5*0 Methyl nitrite CH3ONO (g, cis) -55.68 -67.46 ± 0.46 kJ/mol 61.0401 ± 0.0010 624-91-9*2 Carbamoyl NH2CO (g) -7.50 -13.91 ± 0.83 kJ/mol 44.03272 ± 0.00087 2858-51-7*0 Acetamide CH3C(O)NH2 (g) -219.50 -237.01 ± 0.58 kJ/mol 59.0672 ± 0.0017 60-35-5*0 2-Cyanovinyl CHCHCN (g, syn) 447.9 445.5 ± 1.2 kJ/mol 52.0547 ± 0.0024 189141-20-6*2 Dichloride [Cl2]- (g) -229.8 -228.7 ± 1.4 kJ/mol 70.9059 ± 0.0018 12595-89-0*0 Hypoiodite [IO]- (g) -102.47 -104.29 ± 0.88 kJ/mol 142.90442 ± 0.00030 15065-65-3*0 Dinitrogen cation [N2]+ (g) 1503.311 1503.312 ± 0.000 kJ/mol 28.01293 ± 0.00014 13966-04-6*0 Carbon dioxide cation [CO2]+ (g) 936.092 936.927 ± 0.017 kJ/mol 44.00895 ± 0.00100 12181-61-2*0 Chlorine atom cation Cl+ (g) 1370.806 1372.602 ± 0.0011 kJ/mol 35.45215 ± 0.00090 24203-47-2*0 Ammonium [NH4]+ (aq) -133.076 ± 0.056 kJ/mol 18.03795 ± 0.00029 14798-03-9*800 Hydrazino NH2NH (g) 234.71 224.19 ± 0.69 kJ/mol 31.03730 ± 0.00025 13598-46-4*0 Methylamidogen CH3NH (g) 187.50 176.85 ± 0.47 kJ/mol 30.04920 ± 0.00085 15622-51-2*0 Methyleneamidogen CH2N (g) 242.00 238.34 ± 0.58 kJ/mol 28.03332 ± 0.00082 15845-29-1*0 (E)-Iminomethyl HCNH (g, trans) 275.79 272.17 ± 0.61 kJ/mol 28.03332 ± 0.00082 54980-10-8*0 Hydrogen isocyanide cation [HNC]+ (g) 1352.9 1352.9 ± 1.3 kJ/mol 27.02483 ± 0.00081 74158-11-5*0 Chloroacetylene HCCCl (g) 228.12 228.98 ± 0.70 kJ/mol 60.4820 ± 0.0018 593-63-5*0 Hydroperoxonium [H2OOH]+ (g, trans) 738.1 727.8 ± 1.2 kJ/mol 35.02207 ± 0.00064 70850-26-9*1 iso-Propylium [CH3CHCH3]+ (g) 822.86 805.78 ± 0.25 kJ/mol 43.0871 ± 0.0024 19252-53-0*0 n-Propylide [CH3CH2CH2]- (g) 122.8 105.2 ± 1.2 kJ/mol 43.0882 ± 0.0024 59513-13-2*0 1-Propenyl CH3CHCH (g, cis) 278.28 267.43 ± 0.75 kJ/mol 41.0718 ± 0.0024 6067-68-1*2 1,2-Propadienyl anion [CH2CCH]- (g) 265.66 262.60 ± 0.69 kJ/mol 39.0565 ± 0.0024 64066-06-4*0 Propargylenide [HCCCH]- (g, transoid 2B) 434.4 436.9 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*1 t-Butyl (CH3)3C (g) 74.98 49.69 ± 0.77 kJ/mol 57.1143 ± 0.0033 1605-73-8*0 neo-Pentane C(CH3)4 (g) -134.63 -167.51 ± 0.40 kJ/mol 72.1488 ± 0.0041 463-82-1*0 Cyclobutane CH2(CH2CH2CH2) (g) 52.31 27.77 ± 0.40 kJ/mol 56.1063 ± 0.0032 287-23-0*0 Cyclobutene CH2(CH2CHCH) (g) 177.44 160.39 ± 0.72 kJ/mol 54.0904 ± 0.0032 822-35-5*0 1-Butyne CH3CH2CCH (g) 179.55 165.97 ± 0.62 kJ/mol 54.0904 ± 0.0032 107-00-6*0 Chloro hypochlorite ClOCl (g) 79.78 77.97 ± 0.36 kJ/mol 86.9048 ± 0.0018 7791-21-1*0 2-Hydroxyethyl CH2CH2OH (g, gauche-anti) -10.80 -23.44 ± 0.82 kJ/mol 45.0605 ± 0.0017 4422-54-2*2 Ketene CH2CO (g, triplet) 182.0 177.0 ± 1.1 kJ/mol 42.0367 ± 0.0016 463-51-4*1 Oxoethylidene HCC(O)H (g, syn-triplet) 261.1 257.6 ± 1.1 kJ/mol 42.0367 ± 0.0016 39920-84-8*12 Methanediol CH2(OH)2 (g, disrot gauche) -369.11 -382.27 ± 0.95 kJ/mol 48.0413 ± 0.0010 463-57-0*2 Chlorine pentafluoride FCl(F)(F)(F)F (g) -226.1 -234.2 ± 1.7 kJ/mol 130.44472 ± 0.00090 13637-63-3*0 Methoxyethene CH2CHOCH3 (g, cis) -89.2 -107.1 ± 1.1 kJ/mol 58.0791 ± 0.0025 107-25-5*2 Methyl acetate CH3C(O)OCH3 (g, anti) -363.4 -382.2 ± 1.2 kJ/mol 74.0785 ± 0.0025 79-20-9*2 Carboxymethyl CH2C(O)OH (g, syn) -227.4 -237.3 ± 1.2 kJ/mol 59.0440 ± 0.0017 2887-46-9*1 (Methylamino)methyl CH3NHCH2 (g) 167.74 151.29 ± 0.96 kJ/mol 44.0758 ± 0.0017 31277-24-4*0 Dimethylamidogen (CH3)2N (g) 173.8 156.5 ± 1.5 kJ/mol 44.0758 ± 0.0017 15337-44-7*0 Cyanoamidogen HNCN (g) 323.9 321.4 ± 1.4 kJ/mol 41.03212 ± 0.00082 12347-01-2*0 Bromotrichloromethane CCl3Br (g) -32.71 -41.86 ± 0.59 kJ/mol 198.2728 ± 0.0030 75-62-7*0 Chloromethylidyne CCl (g) 430.43 434.18 ± 0.67 kJ/mol 47.4634 ± 0.0012 3889-76-7*0 Chloromethanol CH2(Cl)OH (g) -232.3 -242.5 ± 1.2 kJ/mol 66.4866 ± 0.0013 15454-33-8*0 Chlorooxy hypochlorite ClOOCl (g) 134.56 131.32 ± 0.56 kJ/mol 102.9042 ± 0.0019 12292-23-8*0 Chloromethoxy CH2(Cl)O (g) -11.9 -18.8 ± 1.1 kJ/mol 65.4787 ± 0.0012 114282-89-2*0 Tetraiodomethane CI4 (g) 332.2 327.1 ± 4.1 kJ/mol 519.62858 ± 0.00081 507-25-5*0 Fluorotrichloromethane CCl3F (g) -285.27 -288.43 ± 0.78 kJ/mol 137.3672 ± 0.0028 75-69-4*0 2-Chloroethanol ClCH2CH2OH (g) -249.81 -266.52 ± 0.59 kJ/mol 80.5132 ± 0.0019 107-07-3*0 o-Benzyne C6H4 (g, singlet) 468.00 459.09 ± 0.87 kJ/mol 76.0960 ± 0.0048 462-80-6*2 Peroxyhypochlorous acid HOOCl (g) 3.94 -1.33 ± 0.95 kJ/mol 68.4594 ± 0.0011 67952-07-2*0 Tropyl CH(CHCHCHCHCHCH) (g) 295.7 278.3 ± 1.1 kJ/mol 91.1305 ± 0.0056 3551-27-7*0 Iodobenzene C6H5I (g) 177.69 161.70 ± 0.99 kJ/mol 204.0084 ± 0.0048 591-50-4*0 Acetonyl CH3C(O)CH2 (g) -19.06 -31.77 ± 0.98 kJ/mol 57.0712 ± 0.0024 3122-07-4*0 Trifluoroethene CF2CHF (g) -493.1 -498.1 ± 1.6 kJ/mol 82.0245 ± 0.0016 359-11-5*0 Isocyanoethene CH2CHNC (g) 285.02 278.51 ± 0.95 kJ/mol 53.0627 ± 0.0024 14668-82-7*0 1-Isocyanoethylidene CH3CNC (g, singlet) 527.7 523.0 ± 1.1 kJ/mol 53.0627 ± 0.0024 *498544-34-6*2 Cyclobutadiene CH(CHCHCH) (g) 435.78 427.32 ± 0.90 kJ/mol 52.0746 ± 0.0032 1120-53-2*0 Nitrogen atom cation N+ (g) 1872.907 1875.689 ± 0.024 kJ/mol 14.006191 ± 0.000070 14158-23-7*0 Dioxodiazoxane ONONO (g, t, t) 93.0 87.9 ± 1.3 kJ/mol 76.01168 ± 0.00091 122413-35-8*1 Nitric acid HON(O)O (aq) -206.64 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*800 Chlorate [OCl(O)O]- (g) -207.3 -212.8 ± 1.6 kJ/mol 83.4514 ± 0.0013 14866-68-3*0 Chloric acid HOCl(O)O (g) 2.1 -5.0 ± 1.6 kJ/mol 84.4588 ± 0.0013 7790-93-4*0 Isodiazene NNH2 (g) 307.51 300.43 ± 0.63 kJ/mol 30.02936 ± 0.00020 28647-38-3*0 Difluoride [F2]- (g) -291.0 -290.2 ± 1.5 kJ/mol 37.9973550 ± 0.0000010 12184-85-9*0 Oxoammoniumyl [HNO]+ (g) 1092.46 1089.53 ± 0.67 kJ/mol 31.01353 ± 0.00032 63559-87-5*0 Trioxidane HOOOH (g, cis) -72.74 -81.23 ± 0.82 kJ/mol 50.01408 ± 0.00091 14699-99-1*2 Nitryl hydride HN(O)O (g) -36.6 -43.6 ± 1.1 kJ/mol 47.01348 ± 0.00061 90266-90-3*0 Peroxynitrous acid HOONO (g, trans, perp) 7.77 0.69 ± 0.41 kJ/mol 63.01288 ± 0.00091 14691-52-2*1 Carbon anion C- (g) 589.621 594.767 ± 0.047 kJ/mol 12.01125 ± 0.00080 14337-00-9*0 Ethylidyne CH3C (g) 508.51 504.81 ± 0.80 kJ/mol 27.0452 ± 0.0016 67624-57-1*0 Ethynylium [CCH]+ (g) 1687.58 1690.91 ± 0.16 kJ/mol 25.0288 ± 0.0016 16456-59-0*0 Methylamidogen anion [CH3NH]- (g) 145.23 134.40 ± 0.65 kJ/mol 30.04975 ± 0.00085 54448-39-4*0 Iminomethyl cation [HCNH]+ (g) 953.3 949.2 ± 1.4 kJ/mol 28.03277 ± 0.00082 196216-36-1*0 Fluoronium [HFH]+ (g, singlet) 774.11 771.17 ± 0.88 kJ/mol 21.01373 ± 0.00014 12206-67-6*2 Water dimer (H2O)2 (g) -491.084 -499.124 ± 0.052 kJ/mol 36.03056 ± 0.00066 25655-83-8*0 Methylperoxy anion [CH3OO]- (g) -90.38 -100.52 ± 0.49 kJ/mol 47.0339 ± 0.0010 35683-44-4*0 Propylidyne CH3CH2C (g, doublet) 492.4 482.7 ± 1.2 kJ/mol 41.0718 ± 0.0024 85056-54-8*1 Cyclopropylidene C(CH2CH2) (g, singlet) 474.89 466.87 ± 0.85 kJ/mol 40.0639 ± 0.0024 2143-70-6*1 Propargylium [CH2CCH]+ (g) 1193.44 1190.63 ± 0.35 kJ/mol 39.0554 ± 0.0024 21540-27-2*0 Propargylenide [HCCCH]- (g, cisoid 2A) 436.9 439.4 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*2 2-Propyn-1-ylium-1-ylidene [CCCH]+ (g) 1598.1 1602.5 ± 1.3 kJ/mol 37.0395 ± 0.0024 75104-46-0*0 Bromanylium Br+ (g) 1257.778 1251.715 ± 0.057 kJ/mol 79.90345 ± 0.00100 22541-56-6*0 1,2-Butadiene CH3CHCCH2 (g) 175.82 162.32 ± 0.46 kJ/mol 54.0904 ± 0.0032 590-19-2*0 Cyclohexane CH2(CH2CH2CH2CH2CH2) (g) -83.44 -123.01 ± 0.33 kJ/mol 84.1595 ± 0.0049 110-82-7*0 Hydrogen fluoride HF (aq, 20 H2O) -321.05 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*818 Ethenol CH2CHOH (g, anti) -108.75 -119.45 ± 0.60 kJ/mol 44.0526 ± 0.0017 557-75-5*2 Vinoxy CH2CHO (g) 22.96 16.12 ± 0.68 kJ/mol 43.0446 ± 0.0016 6912-06-7*0 Oxoethanide [CH3CO]- (g) -44.0 -49.5 ± 1.3 kJ/mol 43.0452 ± 0.0016 78944-68-0*0 Oxirene O(CHCH) (g, singlet) 273.18 271.02 ± 0.92 kJ/mol 42.0367 ± 0.0016 157-18-6*2 Hydroxyformyl HOCO (g, cis) -174.31 -177.34 ± 0.50 kJ/mol 45.0174 ± 0.0010 2564-86-5*2 Hydroxyformyl anion [HOCO]- (g, cis) -319.52 -322.11 ± 0.58 kJ/mol 45.0180 ± 0.0010 78944-70-4*2 Ethoxyethane CH3CH2OCH2CH3 (g) -222.96 -250.38 ± 0.82 kJ/mol 74.1216 ± 0.0033 60-29-7*0 2-Hydrotrioxy OO(H)O (g) 299.6 293.9 ± 1.2 kJ/mol 49.00614 ± 0.00090 *12500-78-6*0 Acetone enol CH3C(OH)CH2 (g, syn) -152.0 -169.4 ± 1.1 kJ/mol 58.0791 ± 0.0025 29456-04-0*1 Acetate [CH3C(O)O]- (g) -496.6 -505.7 ± 1.2 kJ/mol 59.0446 ± 0.0017 71-50-1*0 (Dimethylamino)methyl (CH3)2NCH2 (g) 165.5 142.5 ± 1.3 kJ/mol 58.1024 ± 0.0025 30208-47-0*0 Chloromethide [CH2Cl]- (g) 56.4 53.2 ± 2.0 kJ/mol 49.4798 ± 0.0012 60291-29-4*0 Hexachloroethane CCl3CCl3 (g) -147.0 -149.3 ± 1.3 kJ/mol 236.7376 ± 0.0056 67-72-1*0 cis-1,2-Dichloroethene CHClCHCl (g, cis) 3.47 -2.53 ± 0.54 kJ/mol 96.9427 ± 0.0024 156-59-2*0 Dichloroacetylene ClCCCl (g) 230.12 233.43 ± 0.94 kJ/mol 94.9268 ± 0.0024 7572-29-4*0 Difluoromethylene CF2 (g) -193.90 -193.43 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*0 Hexafluoroethane CF3CF3 (g) -1334.13 -1342.43 ± 0.98 kJ/mol 138.0118 ± 0.0016 76-16-4*0 1,1-Difluoroethane CH3CHF2 (g) -489.00 -502.72 ± 0.56 kJ/mol 66.0500 ± 0.0016 75-37-6*0 2-Fluoroethanol FCH2CH2OH (g) -405.85 -423.09 ± 0.99 kJ/mol 64.0589 ± 0.0017 371-62-0*0 1,3-Butadiyne HCCCCH (g) 457.86 459.58 ± 0.76 kJ/mol 50.0587 ± 0.0032 460-12-8*0 Benzylide [C6H5CH2]- (g) 141.81 122.90 ± 0.43 kJ/mol 91.1310 ± 0.0056 18860-15-6*0 Ethylbenzene C6H5CH2CH3 (g) 58.17 29.70 ± 0.55 kJ/mol 106.1650 ± 0.0064 100-41-4*0 Phenylethene C6H5CHCH2 (g) 169.66 148.32 ± 0.55 kJ/mol 104.1491 ± 0.0064 100-42-5*0 Phenylacetylene C6H5CCH (g) 332.4 317.2 ± 1.1 kJ/mol 102.1332 ± 0.0064 536-74-3*0 Chlorodioxidanyl ClOO (g) 103.91 102.82 ± 0.37 kJ/mol 67.4515 ± 0.0011 17376-09-9*0 Acetonate [CH3C(O)CH2]- (g) -187.88 -201.43 ± 0.98 kJ/mol 57.0717 ± 0.0024 24262-31-5*0 Propadienone CH2CCO (g) 131.95 130.31 ± 0.79 kJ/mol 54.0474 ± 0.0024 61244-93-7*0 Nitrosomethane CH3NO (g) 81.3 71.4 ± 1.3 kJ/mol 45.04066 ± 0.00088 865-40-7*0 1-Cyanoethylidene CH3CCN (g, singlet) 475.6 470.4 ± 1.1 kJ/mol 53.0627 ± 0.0024 498544-34-6*2 3-Imino-2-propen-1-ylidene CHCHCNH (g, syn-singlet) 530.6 525.8 ± 1.2 kJ/mol 53.0627 ± 0.0024 916765-05-4*11 2-(Methylidyneamino)ethenyl CHCHNCH (g, anti-singlet) 600.6 595.5 ± 1.2 kJ/mol 53.0627 ± 0.0024 123416-74-0*11 1-Cyanovinyl anion [CH2CCN]- (g) 224.3 221.5 ± 1.3 kJ/mol 52.0553 ± 0.0024 36259-97-9*0 2-Cyanovinyl CHCHCN (g, anti) 447.9 445.5 ± 1.1 kJ/mol 52.0547 ± 0.0024 189141-20-6*1 Perchloryl OCl(O)O (g) 191.69 186.01 ± 0.61 kJ/mol 83.4509 ± 0.0013 13932-10-0*0 Nitroxyl ON(O)O (g) 79.40 74.14 ± 0.19 kJ/mol 62.00494 ± 0.00090 12033-49-7*0 Azanylium [NH3]+ (g) 944.272 937.317 ± 0.029 kJ/mol 17.03001 ± 0.00022 19496-55-0*0 Carbon cation C+ (g) 1797.850 1803.448 ± 0.047 kJ/mol 12.01015 ± 0.00080 14067-05-1*0 Methyliumylidene [CH]+ (g) 1619.755 1623.098 ± 0.053 kJ/mol 13.01809 ± 0.00080 24361-82-8*0 Ethylidyne CH3C (g, doublet) 508.51 504.81 ± 0.80 kJ/mol 27.0452 ± 0.0016 67624-57-1*1 Vinylidene anion [CCH2]- (g) 363.97 363.78 ± 0.50 kJ/mol 26.0378 ± 0.0016 66295-36-1*0 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g, syn) 49.1 42.2 ± 1.9 kJ/mol 84.4588 ± 0.0013 928652-99-7*1 Cyanomethanide [CH2CN]- (g) 114.24 111.41 ± 0.69 kJ/mol 40.0446 ± 0.0016 21438-99-3*0 Iodine monobromide IBr (g) 49.718 40.771 ± 0.067 kJ/mol 206.8085 ± 0.0010 7789-33-5*0 Methanol cation [CH3OH]+ (g) 856.79 846.46 ± 0.32 kJ/mol 32.04131 ± 0.00090 12538-91-9*0 Methyloxonium [CH3OH2]+ (g) 588.5 574.3 ± 1.2 kJ/mol 33.04925 ± 0.00092 17836-08-7*0 Hydroxymethylene HCOH (g, gauche triplet) 219.3 216.4 ± 1.1 kJ/mol 30.02598 ± 0.00087 19710-56-6*3 Aquacarbon H2OC (g, triplet) 442.7 441.1 ± 1.3 kJ/mol 30.02598 ± 0.00087 81434-73-3*1 Hydroxyde [OH]- (aq) -230.014 ± 0.029 kJ/mol 17.00789 ± 0.00031 14280-30-9*800 Carbonic acid C(O)(OH)2 (g, cis-trans) -596.91 -607.02 ± 0.83 kJ/mol 62.0248 ± 0.0012 463-79-6*2 Carbonic acid C(O)(OH)2 (g, trans-trans) -561.68 -570.53 ± 0.97 kJ/mol 62.0248 ± 0.0012 463-79-6*3 Hydrogen carbonate [HOC(O)O]- (g) -720.6 -727.0 ± 1.4 kJ/mol 61.0174 ± 0.0012 71-52-3*0 n-Propylium [CH3CH2CH2]+ (g) 856.95 838.67 ± 0.85 kJ/mol 43.0871 ± 0.0024 19252-52-9*0 Dioxygen anion [O2]- (g) -43.36 -42.72 ± 0.17 kJ/mol 31.99935 ± 0.00060 11062-77-4*0 Propylidene CH3CH2CH (g, triplet) 349.44 335.75 ± 0.96 kJ/mol 42.0797 ± 0.0024 6700-78-3*1 Allyl anion [CH2CHCH2]- (g) 134.09 123.08 ± 0.23 kJ/mol 41.0723 ± 0.0024 1724-46-5*0 Cyclopropyl CH(CH2CH2) (g) 303.3 290.7 ± 1.3 kJ/mol 41.0718 ± 0.0024 2417-82-5*0 Propylidyne CH3CH2C (g, quartet) 624.5 613.0 ± 1.3 kJ/mol 41.0718 ± 0.0024 85056-54-8*2 1-Propynylide [CH3CC]- (g) 264.35 260.77 ± 0.70 kJ/mol 39.0565 ± 0.0024 36147-87-2*0 1-Propen-1-yl-3-ylidene CHCHCH (g, c-c quartet) 656.6 653.2 ± 1.1 kJ/mol 39.0559 ± 0.0024 84654-90-0*11 sec-Butyl CH3CH2CHCH3 (g) 90.86 66.09 ± 0.87 kJ/mol 57.1143 ± 0.0033 2348-55-2*0 Oxygen atom O (g, singlet) 436.666 438.523 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*2 Oxirene O(CHCH) (g, t-triplet) 387.8 383.6 ± 1.4 kJ/mol 42.0367 ± 0.0016 157-18-6*11 Oxiranylidene CH2(CO) (g, singlet) 213.5 209.2 ± 1.4 kJ/mol 42.0367 ± 0.0016 50983-85-2*2 Dioxirane CH2(OO) (g) 9.40 1.74 ± 0.55 kJ/mol 46.0254 ± 0.0010 157-26-6*0 Hydroxyformyl anion [HOCO]- (g, trans) -313.63 -315.43 ± 0.58 kJ/mol 45.0180 ± 0.0010 78944-70-4*1 Ethoxyethene CH2CHOCH2CH3 (g, cis-trans) -117.7 -141.5 ± 1.5 kJ/mol 72.1057 ± 0.0033 109-92-2*2 Cyanic acid HOCN (g) -12.29 -15.00 ± 0.48 kJ/mol 43.02478 ± 0.00086 420-05-3*0 Isofulminic acid HONC (g) 235.29 233.58 ± 0.48 kJ/mol 43.02478 ± 0.00086 506-85-4*0 Acetic acid CH3C(O)OH (g) -418.86 -432.99 ± 0.42 kJ/mol 60.0520 ± 0.0017 64-19-7*0 Ethyl formate HC(O)OCH2CH3 (g, syn) -375.2 -393.9 ± 1.2 kJ/mol 74.0785 ± 0.0025 109-94-4*1 Methoxyoxomethyl CH3OCO (g, anti-staggered) -152.5 -160.6 ± 1.5 kJ/mol 59.0440 ± 0.0017 16481-04-2*1 (Formyloxy)methyl HC(O)OCH2 (g, syn) -151.9 -160.1 ± 1.3 kJ/mol 59.0440 ± 0.0017 3122-12-1*1 Ethylene glycol (CH2OH)2 (g) -369.75 -389.38 ± 0.40 kJ/mol 62.0678 ± 0.0018 107-21-1*0 Dioxoethyl OCHCO (g) -63.7 -65.1 ± 1.3 kJ/mol 57.0281 ± 0.0017 702699-38-5*0 (Methylamino)methyl cation [CH3NHCH2]+ (g) 729.05 710.43 ± 0.98 kJ/mol 44.0752 ± 0.0017 *31277-24-4*0 Diazomethyl HCNN (g) 470.6 468.1 ± 1.5 kJ/mol 41.03212 ± 0.00082 20813-32-5*0 Isocyanoamidogen HNNC (g) 491.1 489.1 ± 1.5 kJ/mol 41.03212 ± 0.00082 947408-73-3*0 Dichloromethyl CHCl2 (g) 92.20 90.28 ± 0.88 kJ/mol 83.9240 ± 0.0020 3474-12-2*0 Chloromethyl CH2Cl (g) 118.46 115.38 ± 0.87 kJ/mol 49.4793 ± 0.0012 6806-86-6*0 Methyl hypochlorite CH3OCl (g) -53.1 -63.0 ± 1.4 kJ/mol 66.4866 ± 0.0013 593-78-2*0 1,2-Dichloroethane CH2ClCH2Cl (g) -118.59 -130.53 ± 0.54 kJ/mol 98.9586 ± 0.0024 107-06-2*0 Trioxygen difluoride FOOOF (g, trans) 112.2 106.5 ± 1.1 kJ/mol 85.99501 ± 0.00090 16829-28-0*1 Ozonide [OOO]- (g) -58.48 -60.84 ± 0.21 kJ/mol 47.99875 ± 0.00090 12596-80-4*0 Chlorofluoromethane CH2FCl (g) -256.1 -263.3 ± 1.1 kJ/mol 68.4777 ± 0.0012 593-70-4*0 Difluoromethyliumyl [CF2]+ (g) 908.19 908.62 ± 0.78 kJ/mol 50.00696 ± 0.00080 54250-40-7*0 Trioxidanyl HOOO (g, trans) 25.32 23.33 ± 0.13 kJ/mol 49.00614 ± 0.00090 12500-78-6*1 Fluoromethyliumylidene [CF]+ (g) 1122.93 1126.14 ± 0.46 kJ/mol 31.00855 ± 0.00080 33412-11-2*0 1,2-Difluoroacetylene FCCF (g) 2.87 5.70 ± 0.65 kJ/mol 62.0182 ± 0.0016 689-99-6*0 Formyl chloride CHClO (g) -179.99 -183.20 ± 0.77 kJ/mol 64.4707 ± 0.0012 2565-30-2*0 Chloroformyl ClCO (g) -21.92 -20.53 ± 0.49 kJ/mol 63.4628 ± 0.0012 2602-42-8*0 Bromochlorane BrCl (g) 21.882 14.439 ± 0.060 kJ/mol 115.3567 ± 0.0013 13863-41-7*0 o-Benzyne anion [C6H4]- (g) 413.62 404.51 ± 0.96 kJ/mol 76.0965 ± 0.0048 100569-88-8*0 Oxidanylium [OH]+ (g) 1293.188 1293.217 ± 0.035 kJ/mol 17.00679 ± 0.00031 12259-29-9*0 Cycloheptene CH2(CHCHCH2CH2CH2CH2 (g) 28.17 -9.05 ± 0.75 kJ/mol 96.1702 ± 0.0057 628-92-2*0 Cycloheptatriene CH2(CHCHCHCHCHCH) (g) 207.10 183.67 ± 0.95 kJ/mol 92.1384 ± 0.0056 544-25-2*0 Dioxaziridinyl N(OO) (g) 355.1 352.6 ± 1.4 kJ/mol 46.00554 ± 0.00060 66252-29-7*0 Fluorobenzene cation [C6H5F]+ (g) 788.89 773.87 ± 0.89 kJ/mol 96.1018 ± 0.0048 34468-25-2*0 Nitrosobenzene C6H5NO (g) 215.7 198.8 ± 1.2 kJ/mol 107.1100 ± 0.0048 586-96-9*0 Nitromethyl CH2N(O)O (g) 138.9 129.5 ± 1.2 kJ/mol 60.0321 ± 0.0010 16787-85-2*0 2-Butanone CH3CH2C(O)CH3 (g) -217.02 -238.47 ± 0.79 kJ/mol 72.1057 ± 0.0033 78-93-3*0 Methylketene CH3CHCO (g) -54.7 -64.2 ± 1.1 kJ/mol 56.0633 ± 0.0024 6004-44-0*0 Acrolein CH2CHCHO (g, trans) -55.3 -65.7 ± 1.2 kJ/mol 56.0633 ± 0.0024 107-02-8*1 Formaldoxime CH2NOH (g, trans) 30.7 20.1 ± 1.4 kJ/mol 45.04066 ± 0.00088 75-17-2*1 Diazenyl NNH (g) 252.13 249.22 ± 0.45 kJ/mol 29.02142 ± 0.00016 36882-13-0*0 Fluoride F- (aq) -334.50 ± 0.16 kJ/mol 18.99895178 ± 0.00000050 16984-48-8*800 Hydroxyimidogen NOH (g) 217.84 214.95 ± 0.78 kJ/mol 31.01408 ± 0.00032 35337-59-8*0 Peroxynitric acid HOON(O)O (g) -42.6 -52.9 ± 1.3 kJ/mol 79.0123 ± 0.0012 26404-66-0*0 Nitrosyl chloride ClNO (g) 54.453 52.552 ± 0.067 kJ/mol 65.45884 ± 0.00095 2696-92-6*0 Carbon dioxide CO2 (g, triplet) 49.8 50.6 ± 1.1 kJ/mol 44.00950 ± 0.00100 124-38-9*1 Methane cation [CH4]+ (g) 1150.670 1144.287 ± 0.062 kJ/mol 16.04191 ± 0.00085 20741-88-2*0 Oxygen atom O (g, triplet) 246.844 249.229 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*1 Ethanium [C2H7]+ (g) 874.32 858.08 ± 0.62 kJ/mol 31.0764 ± 0.0017 24669-33-8*0 Acetylene cation [HCCH]+ (g) 1328.83 1328.17 ± 0.13 kJ/mol 26.0367 ± 0.0016 25641-79-6*0 1-Ethylium-1-ylidene [CH3C]+ (g) 1329.6 1328.2 ± 1.2 kJ/mol 27.0447 ± 0.0016 78949-84-5*0 Ethylidyne anion [CH3C]- (g) 457.0 452.9 ± 1.2 kJ/mol 27.0458 ± 0.0016 117768-70-4*0 Water anion [(H)(OH)]- (g, vdW ?) 31.3 29.8 ± 3.1 kJ/mol 18.01583 ± 0.00033 12259-30-2*100 Isocyanomethyl CH2NC (g) 363.6 361.1 ± 1.2 kJ/mol 40.0440 ± 0.0016 70971-59-4*0 Trioxidanylium [HOOO]+ (g, trans) 1070.4 1064.1 ± 1.4 kJ/mol 49.00559 ± 0.00090 74241-49-9*1 Methyloxoniumylidene [CH3O]+ (g) 1062.68 1054.87 ± 0.75 kJ/mol 31.03337 ± 0.00088 58157-09-8*0 Chlorine difluoride FClF (g) -47.0 -48.2 ± 1.4 kJ/mol 73.44951 ± 0.00090 24801-48-7*0 Hydroxymethylene HCOH (g, cis) 131.09 127.35 ± 0.29 kJ/mol 30.02598 ± 0.00087 19710-56-6*2 Hydroxymethylene cation [HCOH]+ (g, trans) 971.9 968.2 ± 1.4 kJ/mol 30.02543 ± 0.00087 135395-06-1*1 Isoformyl COH (g) 217.25 217.64 ± 0.69 kJ/mol 29.01804 ± 0.00086 71080-92-7*0 1-Methylethylidene CH3CCH3 (g, triplet) 326.8 313.6 ± 1.2 kJ/mol 42.0797 ± 0.0024 40852-89-9*1 Allylium [CH2CHCH2]+ (g) 964.53 952.97 ± 0.44 kJ/mol 41.0713 ± 0.0024 1724-44-3*0 1-Propenyl CH3CHCH (g, trans) 280.32 269.49 ± 0.81 kJ/mol 41.0718 ± 0.0024 6067-68-1*1 Cycloprop-1-enyl CH2(CHC) (g) 527.40 523.01 ± 0.61 kJ/mol 39.0559 ± 0.0024 19528-44-0*0 Cycloprop-2-enylium [CH(CHCH)]+ (g) 1080.3 1075.2 ± 1.1 kJ/mol 39.0554 ± 0.0024 26810-74-2*0 Cyclopropynyl CH(CC) (g) 710.96 715.08 ± 0.85 kJ/mol 37.0400 ± 0.0024 119178-99-3*0 n-Butyl anion [CH3CH2CH2CH2]- (g) 105.8 80.9 ± 1.3 kJ/mol 57.1148 ± 0.0033 79431-01-9*0 sec-Butyl anion [CH3CH2CHCH3]- (g) 103.0 78.5 ± 1.3 kJ/mol 57.1148 ± 0.0033 79431-00-8*0 Cyclopentene CH2(CH2CHCHCH2) (g) 59.46 35.19 ± 0.45 kJ/mol 68.1170 ± 0.0040 142-29-0*0 n-Heptane CH3(CH2)5CH3 (g) -145.65 -187.52 ± 0.48 kJ/mol 100.2019 ± 0.0057 142-82-5*0 n-Octane CH3(CH2)6CH3 (g) -161.42 -208.25 ± 0.67 kJ/mol 114.2285 ± 0.0065 111-65-9*0 1-Hydroxyethylium [CH3CHOH]+ (g, syn) 610.9 596.4 ± 1.1 kJ/mol 45.0600 ± 0.0017 18682-96-7*2 Vinyl alcohol cation [CH2CHOH]+ (g, anti) 778.7 767.4 ± 1.3 kJ/mol 44.0520 ± 0.0017 57239-63-1*2 Oxiranyl CH2(CHO) (g) 172.5 164.2 ± 1.3 kJ/mol 43.0446 ± 0.0016 31586-84-2*0 Oxiranylium [CH2(CHO)]+ (g, singlet) 901.1 893.2 ± 1.5 kJ/mol 43.0441 ± 0.0016 57789-76-1*2 Hydrogen chloride HCl (aq, 100 H2O) -165.757 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*828 C=O=C COC (g, triplet) 653.0 657.3 ± 1.5 kJ/mol 40.0208 ± 0.0016 *12071-23-7*1 C=O=C COC (g, singlet) 721.9 726.2 ± 1.6 kJ/mol 40.0208 ± 0.0016 *12071-23-7*2 Bromide Br- (aq) -120.65 ± 0.15 kJ/mol 79.90455 ± 0.00100 24959-67-9*800 Oxoethylidene HCC(O)H (g, singlet) 275.4 272.6 ± 1.7 kJ/mol 42.0367 ± 0.0016 39920-84-8*2 Ethyl hydroperoxide CH3CH2OOH (g) -143.2 -161.6 ± 1.2 kJ/mol 62.0678 ± 0.0018 3031-74-1*0 Hydrogen fluoride HF (aq, 30 H2O) -321.10 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*820 Formic acid cation [HC(O)OH]+ (g, syn) 721.87 714.78 ± 0.26 kJ/mol 46.0248 ± 0.0010 50614-05-6*1 Azide [NNN]- (g) 193.55 190.04 ± 0.91 kJ/mol 42.02077 ± 0.00021 14343-69-2*0 Formyloxidanyl HC(O)O (g, 2B2) -122.10 -125.45 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*2 Chloryl hydride HCl(O)O (g) 197.6 191.2 ± 1.6 kJ/mol 68.4594 ± 0.0011 174365-32-3*0 Dinitrogen pentoxide O2NONO2 (g) 24.43 14.86 ± 0.35 kJ/mol 108.0105 ± 0.0015 10102-03-1*0 1-Propanol CH3CH2CH2OH (g) -231.41 -255.26 ± 0.25 kJ/mol 60.0950 ± 0.0025 71-23-8*0 Fulminic acid HCNO (g) 170.83 169.37 ± 0.49 kJ/mol 43.02478 ± 0.00086 51060-05-0*0 Hydrogen difluoride (F)(HF) (g, lin) -198.5 -198.4 ± 1.2 kJ/mol 39.004746 ± 0.000070 12528-21-1*1 (Formyloxy)methyl HC(O)OCH2 (g, anti) -136.3 -144.5 ± 1.3 kJ/mol 59.0440 ± 0.0017 3122-12-1*2 Carboxymethyl CH2C(O)OH (g, anti) -206.7 -216.0 ± 1.3 kJ/mol 59.0440 ± 0.0017 2887-46-9*2 Dimethylamide [(CH3)2N]- (g) 122.2 103.8 ± 1.7 kJ/mol 44.0763 ± 0.0017 34285-60-4*0 Oxoniumyl ion [H2O]+ (g) 978.467 975.564 ± 0.028 kJ/mol 18.01473 ± 0.00033 56583-62-1*0 Iodide I- (aq) -56.824 ± 0.090 kJ/mol 126.905019 ± 0.000030 20461-54-5*800 1H-Triazirin-1-yl N(NN) (g) 585.9 584.1 ± 2.0 kJ/mol 42.02022 ± 0.00021 912535-95-6*0 1,1,2-Trichloroethane CH2ClCHCl2 (g) -136.6 -148.3 ± 1.4 kJ/mol 133.4033 ± 0.0031 79-00-5*0 1,1,1,2-Tetrachloroethane CH2ClCCl3 (g) -144.5 -153.1 ± 1.3 kJ/mol 167.8481 ± 0.0039 630-20-6*0 Pentachloroethyl CCl3CCl2 (g) 27.0 25.1 ± 1.3 kJ/mol 201.2849 ± 0.0048 7094-17-9*0 Iodomethane CH3I (l) -12.17 ± 0.20 kJ/mol 141.93899 ± 0.00083 74-88-4*590 Difluoromethylene CF2 (g, triplet) 43.29 44.00 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*1 Ethyl iodide CH3CH2I (l) -9.41 -39.28 ± 0.49 kJ/mol 155.9656 ± 0.0016 75-03-6*500 cis-1,2-Difluoroethene CHFCHF (g, cis) -302.90 -309.66 ± 0.90 kJ/mol 64.0341 ± 0.0016 1630-77-9*0 Fluoroethynyl CCF (g) 445.2 449.8 ± 1.6 kJ/mol 43.0198 ± 0.0016 22533-50-2*0 Fluoro(fluorooxy)methylene FCOF (g, cis) -134.8 -136.0 ± 1.3 kJ/mol 66.00691 ± 0.00085 479587-30-9*2 Dibromophosgene CBr2O (g) -97.96 -113.89 ± 0.37 kJ/mol 187.8181 ± 0.0022 593-95-3*0 Benzene C6H6 (cr,l) 50.71 49.16 ± 0.23 kJ/mol 78.1118 ± 0.0048 71-43-2*500 o-Benzyne C6H4 (g) 468.00 459.09 ± 0.87 kJ/mol 76.0960 ± 0.0048 462-80-6*0 m-Benzyne C6H4 (g, singlet) 526.9 518.4 ± 1.2 kJ/mol 76.0960 ± 0.0048 1828-89-3*2 p-Benzyne C6H4 (g, singlet) 586.9 577.4 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*2 Cycloheptane CH2(CH2CH2CH2CH2CH2C (g) -72.76 -118.26 ± 0.53 kJ/mol 98.1861 ± 0.0057 291-64-5*0 Dioxidenium [HO2]+ (g) 1110.87 1107.98 ± 0.11 kJ/mol 33.00619 ± 0.00060 12207-52-2*0 Benzoyl fluoride C6H5C(O)F (g) -288.1 -304.5 ± 1.5 kJ/mol 124.1124 ± 0.0056 455-32-3*0 Iodine cation I+ (g) 1115.549 1115.149 ± 0.0062 kJ/mol 126.903921 ± 0.000030 22541-93-1*0 Bifluoride [(HF)(F)]- (g, singlet) -481.7 -480.6 ± 1.9 kJ/mol 39.005295 ± 0.000070 *18130-74-0*2 2-Cyclopropen-1-one OC(CHCH) (g) 163.7 159.8 ± 1.2 kJ/mol 54.0474 ± 0.0024 2961-80-0*0 Cyanovinylidene CCHCN (g) 581.6 584.1 ± 1.2 kJ/mol 51.0468 ± 0.0024 70277-81-5*0 Isocyanovinylidene CCHNC (g) 696.8 700.1 ± 1.4 kJ/mol 51.0468 ± 0.0024 737788-76-0*0 Cyanoacetylide [CCCN]- (g) 300.2 305.5 ± 1.2 kJ/mol 50.0394 ± 0.0024 12373-53-4*0 Isocyanoethene CH2CHNC (g, singlet) 285.02 278.51 ± 0.95 kJ/mol 53.0627 ± 0.0024 14668-82-7*1 1-Cyanoethylidene CH3CCN (g, triplet) 437.5 433.7 ± 1.5 kJ/mol 53.0627 ± 0.0024 498544-34-6*1 Isocyanomethylene HCNC (g, singlet) 582.3 583.6 ± 1.7 kJ/mol 39.0361 ± 0.0016 78694-65-2*1 Propargyl chloride HCCCH2Cl (g) 186.5 180.6 ± 1.3 kJ/mol 74.5086 ± 0.0026 624-65-7*0 Silicon Si (g) 446.23 450.57 ± 0.20 kJ/mol 28.08550 ± 0.00030 7440-21-3*0 Dioxiranylidene C(OO) (g) 190.3 191.1 ± 1.4 kJ/mol 44.00950 ± 0.00100 138832-57-2*0 Methylidyne CH (g, doublet) 592.820 596.154 ± 0.098 kJ/mol 13.01864 ± 0.00080 3315-37-5*1 Fluorohydrochlorine cation [FClH]+ (g) 975.3 972.3 ± 2.0 kJ/mol 55.45849 ± 0.00090 70110-64-4*0 Oxofluoronium [FO]+ (g) 1342.65 1342.60 ± 0.81 kJ/mol 34.99725 ± 0.00030 12763-67-6*0 Chlorine fluoride cation [ClF]+ (g) 1165.53 1165.71 ± 0.49 kJ/mol 54.45055 ± 0.00090 12432-44-9*0 Methylammonium [CH3NH3]+ (g) 628.4 609.5 ± 1.4 kJ/mol 32.06453 ± 0.00091 17000-00-9*0 Aminomethylene CHNH2 (g) 245.9 238.2 ± 1.5 kJ/mol 29.04126 ± 0.00083 35430-17-2*0 Methylimidogen CH3N (g) 323.1 315.3 ± 1.1 kJ/mol 29.04126 ± 0.00083 27770-42-9*0 Methyleneamidogen anion [CH2N]- (g) 192.77 189.01 ± 0.91 kJ/mol 28.03387 ± 0.00082 28892-56-0*0 (Z)-Iminomethyl HCNH (g, cis) 294.50 291.01 ± 0.90 kJ/mol 28.03332 ± 0.00082 54980-11-9*0 Aminomethylidyne CNH2 (g) 371.9 368.4 ± 1.1 kJ/mol 28.03332 ± 0.00082 84654-89-7*0 Peroxychlorous acid HOOClO (g, syn) 96.2 90.2 ± 2.1 kJ/mol 84.4588 ± 0.0013 177778-92-6*1 Deuterium atom D (g) 219.804 221.717 ± 0.000 kJ/mol 2.01410177800 ± 0.00000000040 16873-17-9*0 Methyleneoxonium CH2OH2 (g) 152.44 144.12 ± 0.49 kJ/mol 32.04186 ± 0.00090 177788-17-9*0 (Z)-Diazene HNNH (g, cis) 228.81 221.67 ± 0.63 kJ/mol 30.02936 ± 0.00020 15626-42-3*0 Hydroxymethylene anion [HCOH]- (g, trans) 147.1 144.1 ± 1.6 kJ/mol 30.02653 ± 0.00087 207914-87-2*1 Chlorine difluoride cation [FClF]+ (g) 998.9 996.7 ± 1.7 kJ/mol 73.44896 ± 0.00090 32629-46-2*0 Hydroxymethyliumylidene [COH]+ (g) 986.02 987.65 ± 0.83 kJ/mol 29.01749 ± 0.00086 60528-75-8*0 Isoformyl anion [(CO)(H)]- (g, vdW singlet ?) 55.7 58.4 ± 1.8 kJ/mol 29.01859 ± 0.00086 81747-63-9*1 Peroxyformic acid HC(O)OOH (g, trans) -265.4 -273.3 ± 1.6 kJ/mol 62.0248 ± 0.0012 107-32-4*2 Hydroxyoxomethoxy HOC(O)O (g) -358.9 -365.0 ± 1.5 kJ/mol 61.0168 ± 0.0012 38330-85-7*0 Hydroperoxycarbonyl HOOCO (g) -73.0 -76.8 ± 1.7 kJ/mol 61.0168 ± 0.0012 153751-35-0*0 Nitrosodioxaziridine ONN(OO) (g, trans) 413.6 407.6 ± 1.8 kJ/mol 76.01168 ± 0.00091 132871-99-9*1 Trioxidaniumyl [HOOOH]+ (g, t, t) 925.5 916.2 ± 1.5 kJ/mol 50.01353 ± 0.00091 161321-37-5*2 Oxywater (H2O)O (g) 64.8 58.3 ± 1.3 kJ/mol 34.01468 ± 0.00062 171363-09-0*0 Perchloric acid HOCl(O)(O)O (g) 13.2 1.8 ± 1.8 kJ/mol 100.4582 ± 0.0015 7601-90-3*0 Dinitrogen tetraoxide O2NNO2 (g) 20.15 10.86 ± 0.14 kJ/mol 92.0111 ± 0.0012 10544-72-6*0 Propan-1-yl-3-ylidene CH2CH2CH (g, quartet) 554.2 545.6 ± 1.3 kJ/mol 41.0718 ± 0.0024 *50457-59-5*2 1-Propenylidene CH3CHC (g, singlet) 392.3 388.0 ± 1.1 kJ/mol 40.0639 ± 0.0024 70277-78-0*1 1-Propynyl CH3CC (g) 528.30 526.12 ± 0.70 kJ/mol 39.0559 ± 0.0024 89342-91-6*0 Hydroxyaminiumyl [NOH]+ (g) 1161.1 1158.2 ± 1.4 kJ/mol 31.01353 ± 0.00032 63559-88-6*0 Cycloprop-2-enyl CH(CHCH) (g) 490.22 485.67 ± 0.60 kJ/mol 39.0559 ± 0.0024 28933-84-8*0 2-Propen-1-yl-3-ylidene CH2CHC (g) 556.56 554.30 ± 0.90 kJ/mol 39.0559 ± 0.0024 202744-74-9*0 Cyclopropenylidene C(CHCH) (g) 497.03 496.07 ± 0.46 kJ/mol 38.0480 ± 0.0024 16165-40-5*0 2-Propynylidyne anion [CCCH]- (g) 540.01 544.79 ± 0.83 kJ/mol 37.0406 ± 0.0024 82893-67-2*0 t-Butylium [(CH3)3C]+ (g) 733.76 710.48 ± 0.98 kJ/mol 57.1137 ± 0.0033 14804-25-2*0 t-Butyl anion [(CH3)3C]- (g) 76.1 51.3 ± 1.5 kJ/mol 57.1148 ± 0.0033 65114-21-8*0 iso-Butyl (CH3)2CHCH2 (g) 96.91 72.92 ± 0.92 kJ/mol 57.1143 ± 0.0033 4630-45-9*0 Methylcyclopropane CH3CH(CH2CH2) (g) 47.8 24.5 ± 1.3 kJ/mol 56.1063 ± 0.0032 594-11-6*0 Ethanol CH3CH2OH (l) -269.75 -277.51 ± 0.22 kJ/mol 46.0684 ± 0.0017 64-17-5*500 2-Hydroxyethyl CH2CH2OH (g, staggered-anti) -5.5 -17.9 ± 1.3 kJ/mol 45.0605 ± 0.0017 4422-54-2*3 Hydroxyamidogen HNOH (g, cis) 123.4 116.8 ± 1.7 kJ/mol 32.02202 ± 0.00034 13940-32-4*2 Vinyl alcohol cation [CH2CHOH]+ (g, syn) 786.75 775.52 ± 0.85 kJ/mol 44.0520 ± 0.0017 57239-63-1*1 Vinoxy cation [CH2CHO]+ (g, triplet) 1020.1 1013.1 ± 1.5 kJ/mol 43.0441 ± 0.0016 *35731-40-9*1 Vinoxide [CH2CHO]- (g) -153.04 -160.10 ± 0.68 kJ/mol 43.0452 ± 0.0016 35731-40-9*0 2-Hydroxyethenyl CHCHOH (g, trans-cis) 138.01 131.27 ± 0.92 kJ/mol 43.0446 ± 0.0016 108665-16-3*21 Hydroxyaminylium [HNOH]+ (g, trans) 1019.5 1012.4 ± 2.5 kJ/mol 32.02147 ± 0.00034 66097-71-0*1 Oxiranyl anion [CH2(CHO)]- (g, singlet) 121.2 113.2 ± 1.5 kJ/mol 43.0452 ± 0.0016 72722-59-9*2 Acetic acid CH3C(O)OH (aq) -485.18 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*800 Ketene CH2CO (g, singlet) -45.35 -48.47 ± 0.11 kJ/mol 42.0367 ± 0.0016 463-51-4*2 COC vdW (CO)(C) (g, triplet) 589.7 598.5 ± 1.5 kJ/mol 40.0208 ± 0.0016 *12071-24-8*1 Oxirene O(CHCH) (g, c-triplet) 389.8 385.7 ± 1.4 kJ/mol 42.0367 ± 0.0016 157-18-6*12 Bifluoride [FFH]- (g, triplet) -68.0 -67.6 ± 1.6 kJ/mol 39.005295 ± 0.000070 *18130-74-0*1 Formyloxoniumylidene [HC(O)O]+ (g) 1017.3 1013.9 ± 1.4 kJ/mol 45.0169 ± 0.0010 54375-27-8*0 Dioxymethylene HCOO (g, trans) 364.0 361.7 ± 2.4 kJ/mol 45.0174 ± 0.0010 438586-67-5*1 2-Propanol CH3CH(OH)CH3 (g) -249.42 -273.52 ± 0.36 kJ/mol 60.0950 ± 0.0025 67-63-0*0 Dihydrogen fluoride anion [HFH]- (g, triplet) 133.2 131.9 ± 1.6 kJ/mol 21.01483 ± 0.00014 117339-92-1*1 Cyanate [NCO]- (g) -221.21 -221.43 ± 0.53 kJ/mol 42.01739 ± 0.00086 661-20-1*0 Nitrosomethylidyne CNO (g) 388.8 390.2 ± 1.4 kJ/mol 42.01684 ± 0.00086 82267-15-0*0 Oxazirinyl C(NO) (g) 450.0 450.7 ± 1.5 kJ/mol 42.01684 ± 0.00086 228850-18-8*0 Propionic acid CH3CH2C(O)OH (g, syn) -436.41 -454.31 ± 0.60 kJ/mol 74.0785 ± 0.0025 79-09-4*1 2-Methoxy-2-oxoethyl CH2C(O)OCH3 (g, syn) -203.4 -218.7 ± 1.6 kJ/mol 73.0706 ± 0.0025 54668-31-4*1 (Acetyloxy)methyl CH3C(O)OCH2 (g, syn) -200.7 -214.5 ± 1.6 kJ/mol 73.0706 ± 0.0025 2887-49-2*1 Dimethylmethyleneammonium [(CH3)2NCH2]+ (g) 696.4 671.3 ± 1.4 kJ/mol 58.1018 ± 0.0025 28149-27-1*0 Hydrogen fluoride HF (aq, 40 H2O) -321.13 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*821 Trichloromethide [CCl3]- (g) -124.8 -124.3 ± 2.0 kJ/mol 118.3693 ± 0.0028 14478-07-0*0 2-Hydrotrioxy cation [OO(H)O]+ (g) 1298.2 1291.5 ± 1.5 kJ/mol 49.00559 ± 0.00090 *74241-49-9*0 Dioxyamidogen HNOO (g, cis) 240.4 233.8 ± 1.8 kJ/mol 47.01348 ± 0.00061 71843-95-3*2 1,1,2,2-Tetrachloroethane CHCl2CHCl2 (g) -146.9 -156.2 ± 1.5 kJ/mol 167.8481 ± 0.0039 79-34-5*0 1,1,2,2-Tetrachloroethane CHCl2CHCl2 (cr,l) -173.0 -202.0 ± 1.5 kJ/mol 167.8481 ± 0.0039 79-34-5*500 Pentachloroethane CHCl2CCl3 (cr,l) -202.9 ± 2.5 kJ/mol 202.2928 ± 0.0048 76-01-7*500 Trichloroethene CHClCCl2 (l) -49.2 ± 1.5 kJ/mol 131.3874 ± 0.0031 79-01-6*590 Tetrachloroethene CCl2CCl2 (l) -62.9 ± 1.1 kJ/mol 165.8322 ± 0.0039 127-18-4*500 Chlorine chlorite ClOClO (g, gauche) 168.6 166.2 ± 1.3 kJ/mol 102.9042 ± 0.0019 105206-44-8*3 Trichloroethene CHClCCl2 (g) -11.3 -14.6 ± 1.5 kJ/mol 131.3874 ± 0.0031 79-01-6*0 2-Hydrotrioxy anion [OO(H)O]- (g) 27.5 21.8 ± 1.4 kJ/mol 49.00669 ± 0.00090 *89965-38-8*0 Triiodide [I3]- (aq) -51.41 ± 0.80 kJ/mol 380.713959 ± 0.000090 14900-04-0*800 Bromodichloromethane CHCl2Br (g) -37.4 -49.1 ± 1.2 kJ/mol 163.8280 ± 0.0022 75-27-4*0 Oxygen cation monohydrate [(HOH)O]+ (g) 1153.3 1147.8 ± 3.3 kJ/mol 34.01413 ± 0.00062 *31748-17-1*0 Difluorodibromomethane CF2Br2 (g) -364.0 -382.0 ± 1.3 kJ/mol 209.8155 ± 0.0022 75-61-6*0 Dichlorodibromomethane CCl2Br2 (g) 21.0 5.1 ± 1.3 kJ/mol 242.7241 ± 0.0028 594-18-3*0 Difluorobromomethane CHF2Br (g) -411.08 -424.28 ± 0.47 kJ/mol 130.9194 ± 0.0013 1511-62-2*0 Chlorosyl hydride HClO (g) 141.9 139.1 ± 1.7 kJ/mol 52.46004 ± 0.00095 71572-35-5*0 1,2-Difluoroethane CH2FCH2F (g) -434.40 -447.82 ± 0.81 kJ/mol 66.0500 ± 0.0016 624-72-6*0 Fluoro(fluorooxy)methylene FCOF (g, trans) -37.5 -39.1 ± 1.4 kJ/mol 66.00691 ± 0.00085 479587-30-9*1 Aquachlorine cation [ClOH2]+ (g) 821.8 815.0 ± 1.7 kJ/mol 53.46743 ± 0.00096 142599-65-3*0 Phenylium [C6H5]+ (g, triplet) 1250.6 1237.6 ± 1.6 kJ/mol 77.1034 ± 0.0048 17333-73-2*1 Peroxynitrous acid HOONO (g, cis, perp) -0.19 -7.24 ± 0.53 kJ/mol 63.01288 ± 0.00091 14691-52-2*2 Hydrogen difluoride cation [FFH]+ (g) 1174.3 1171.3 ± 1.5 kJ/mol 39.004198 ± 0.000070 *126950-54-7*0 Chlorobenzene cation [C6H5Cl]+ (g) 942.47 928.55 ± 0.61 kJ/mol 112.5561 ± 0.0049 55450-32-3*0 Chlorobenzene C6H5Cl (cr,l) 11.23 ± 0.59 kJ/mol 112.5566 ± 0.0049 108-90-7*500 m-Chlorophenyl C6H4Cl (g) 319.9 309.1 ± 1.6 kJ/mol 111.5487 ± 0.0049 3474-40-6*0 p-Chlorophenyl C6H4Cl (g) 322.8 312.0 ± 1.6 kJ/mol 111.5487 ± 0.0049 2396-00-1*0 o-Chlorophenyl C6H4Cl (g) 327.2 316.4 ± 1.6 kJ/mol 111.5487 ± 0.0049 3474-42-8*0 Bromobenzene cation [C6H5Br]+ (g) 994.8 973.2 ± 1.3 kJ/mol 157.0074 ± 0.0049 55450-33-4*0 Iodobenzene C6H5I (cr,l) 112.8 112.9 ± 1.1 kJ/mol 204.0084 ± 0.0048 591-50-4*500 Oxygen anion monohydrate [(HOH)O]- (g) -239.0 -244.3 ± 3.0 kJ/mol 34.01523 ± 0.00062 31748-17-1*0 Nitrobenzene C6H5N(O)O (g) 81.4 61.4 ± 1.4 kJ/mol 123.1094 ± 0.0049 98-95-3*0 Methyl nitrite CH3ONO (g) -55.68 -66.35 ± 0.46 kJ/mol 61.0401 ± 0.0010 624-91-9*0 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-trans, syn) -53.9 -70.8 ± 1.6 kJ/mol 70.0898 ± 0.0032 59120-04-6*11 (E)-Diazene cation [HNNH]+ (g, trans) 1132.46 1125.52 ± 0.64 kJ/mol 30.02881 ± 0.00020 59952-06-6*0 Formaldonitrone CH2NHO (g) 78.6 67.3 ± 1.5 kJ/mol 45.04066 ± 0.00088 67353-84-8*0 2-Cyclopropen-1-imine (CHCH)CNH (g) 401.8 394.1 ± 1.4 kJ/mol 53.0627 ± 0.0024 31589-17-0*0 1-Isocyanovinyl CH2CNC (g) 519.0 517.2 ± 1.4 kJ/mol 52.0547 ± 0.0024 321850-14-0*0 Silicon carbide SiC (cr, alpha-hex) -71.0 -72.1 ± 1.4 kJ/mol 40.09620 ± 0.00085 409-21-2*501 Tetrafluorosilane SiF4 (g) -1609.28 -1614.79 ± 0.69 kJ/mol 104.07911 ± 0.00030 7783-61-1*0 Iminomethyl anion [HCNH]- (g, trans) 237.3 233.5 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*1 Chlorohydrofluorine cation [ClFH]+ (g) 1000.8 998.1 ± 2.1 kJ/mol 55.45849 ± 0.00090 70110-63-3*0 Dioxymethylidyne COO (g) 299.8 301.1 ± 1.7 kJ/mol 44.00950 ± 0.00100 791121-04-5*0 Diazenide [NNH]- (g, vdW) 175.6 176.7 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*100 Cyanogen iodide anion [ICN]- (g) 86.5 88.9 ± 8.1 kJ/mol 152.92246 ± 0.00080 1356929-44-6*0 Methanol CH3OH (l) -235.31 -238.64 ± 0.16 kJ/mol 32.04186 ± 0.00090 67-56-1*500 Formaldehyde cation [CH2O]+ (g) 944.864 941.243 ± 0.098 kJ/mol 30.02543 ± 0.00087 54288-05-0*0 Iodine I (g, 2P3/2) 107.157 106.757 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*1 Isoformyl anion [COH]- (g, triplet) 267.4 268.0 ± 1.6 kJ/mol 29.01859 ± 0.00086 81747-63-9*2 Fluoronium [HFH]+ (g) 774.11 771.17 ± 0.88 kJ/mol 21.01373 ± 0.00014 12206-67-6*0 Hydrogen fluoride HF (aq, 35 H2O) -321.12 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*904 Carbide [C2]- (g) 504.74 511.31 ± 0.39 kJ/mol 24.0219 ± 0.0016 12595-78-7*0 2-Propenylidene CHCHCH2 (g, triplet anti) 417.4 409.9 ± 1.5 kJ/mol 40.0639 ± 0.0024 19527-08-3*11 2-Propenylidene CHCHCH2 (g, singlet) 452.59 445.45 ± 0.91 kJ/mol 40.0639 ± 0.0024 19527-08-3*2 Fluoronium [(HF)(H)]+ (g, triplet) 1490.1 1491.5 ± 1.9 kJ/mol 21.01373 ± 0.00014 12206-67-6*1 2-Cyclopropyn-1-ylidene C(CC) (g, triplet) 898.9 905.8 ± 1.6 kJ/mol 36.0321 ± 0.0024 102508-15-6*1 2-Cyclopropyn-1-ylium-1-yl [C(CC)]+ (g) 1944.7 1952.6 ± 1.9 kJ/mol 36.0316 ± 0.0024 154702-35-9*0 2-Cyclopropen-1-ylium-1-yl [C(CHCH)]+ (g) 1382.0 1380.9 ± 1.1 kJ/mol 38.0474 ± 0.0024 85398-75-0*0 Propynylidene HCCCH (g, cis singlet) 597.6 599.3 ± 1.3 kJ/mol 38.0480 ± 0.0024 67152-18-5*3 Propenediylidene CHCHC (g) 796.1 797.3 ± 1.4 kJ/mol 38.0480 ± 0.0024 60731-11-5*0 n-Butylium [CH3CH2CH2CH2]+ (g) 827.5 803.1 ± 1.2 kJ/mol 57.1137 ± 0.0033 25453-90-1*0 Dihydrogen fluoride anion [(F)(HH)]- (g, singlet) -257.0 -260.1 ± 1.9 kJ/mol 21.01483 ± 0.00014 *117339-92-1*2 Dibromide [Br2]- (g) -199.2 -213.3 ± 2.0 kJ/mol 159.8085 ± 0.0020 12595-70-9*0 Dioxygenyl ion monohydrate [(H2O)(O2)]+ (g) 828.5 821.4 ± 2.1 kJ/mol 50.01353 ± 0.00091 11083-61-7*0 iso-Hexane CH3CH2CH2CH(CH3)2 (g) -134.65 -173.91 ± 0.84 kJ/mol 86.1754 ± 0.0049 107-83-5*0 Ethyloxoniumyl [CH3CH2OH]+ (g) 783.3 766.3 ± 1.7 kJ/mol 46.0679 ± 0.0017 34480-55-2*0 1-Hydroxyethylium [CH3CHOH]+ (g) 608.75 594.32 ± 0.39 kJ/mol 45.0600 ± 0.0017 18682-96-7*0 2-Hydroxyethylium [CH2CH2OH]+ (g, staggered-anti) 1019.1 1006.3 ± 1.5 kJ/mol 45.0600 ± 0.0017 38607-31-7*3 Chloride Cl- (aq) -166.991 ± 0.023 kJ/mol 35.45325 ± 0.00090 16887-00-6*800 Ethyloxoniumylidene [CH3CH2O]+ (g) 988.7 975.0 ± 1.5 kJ/mol 45.0600 ± 0.0017 54387-07-4*0 Acetaldehyde cation [CH3CHO]+ (g) 831.91 821.93 ± 0.26 kJ/mol 44.0520 ± 0.0017 36505-03-0*0 Oxiranylium [CH2(CHO)]+ (g, triplet) 1233.4 1226.4 ± 1.7 kJ/mol 43.0441 ± 0.0016 57789-76-1*1 Oxiranyl anion [CH2(CHO)]- (g, triplet) 140.9 134.9 ± 1.6 kJ/mol 43.0452 ± 0.0016 72722-59-9*1 Peroxychlorite [OClOO]- (g) -34.3 -34.3 ± 2.0 kJ/mol 83.4514 ± 0.0013 852472-63-0*0 Ketenyl anion [HCCO]- (g) -48.48 -47.55 ± 0.82 kJ/mol 41.0293 ± 0.0016 64066-01-9*0 Dicarbon monoxide anion [CCO]- (g) 154.18 157.82 ± 0.83 kJ/mol 40.0213 ± 0.0016 87191-88-6*0 Dicarbon monoxide CCO (g, singlet) 440.22 444.55 ± 0.83 kJ/mol 40.0208 ± 0.0016 12071-23-7*2 Fluorochlorate [ClF]- (g) -256.02 -255.42 ± 0.81 kJ/mol 54.45165 ± 0.00090 12272-56-9*0 COC vdW (CO)(C) (g, singlet) 726.2 734.6 ± 1.7 kJ/mol 40.0208 ± 0.0016 *12071-24-8*2 C=O-C cation [COC]+ (g, doublet) 1585.8 1592.9 ± 2.7 kJ/mol 40.0203 ± 0.0016 83483-98-1*1 C=O=C anion [COC]- (g) 550.3 554.1 ± 1.7 kJ/mol 40.0213 ± 0.0016 *87191-88-6*0 Oxirene cation [O(CHCH)]+ (g) 1106.3 1102.6 ± 1.9 kJ/mol 42.0361 ± 0.0016 94664-69-4*0 Ethynol HCCOH (g, gauche triplet) 400.0 397.6 ± 1.9 kJ/mol 42.0367 ± 0.0016 32038-79-2*11 Oxoethylidene HCC(O)H (g, anti-triplet) 265.9 262.6 ± 1.6 kJ/mol 42.0367 ± 0.0016 39920-84-8*11 Hydroperoxymethyl CH2OOH (g) 72.7 65.4 ± 1.4 kJ/mol 47.0333 ± 0.0010 74087-87-9*0 Nitrous acid HONO (g, cis) -71.39 -77.74 ± 0.26 kJ/mol 47.01348 ± 0.00061 7782-77-6*2 Formic acid cation [HC(O)OH]+ (g, anti) 723.7 716.7 ± 1.2 kJ/mol 46.0248 ± 0.0010 50614-05-6*2 Formic acid anion [HC(O)OH]- (g, syn) -256.2 -262.4 ± 1.8 kJ/mol 46.0259 ± 0.0010 19066-82-1*1 Chlorosyl chloride ClClO (g) 134.5 133.2 ± 1.4 kJ/mol 86.9048 ± 0.0018 86825-56-1*0 Trihydrogen dioxide anion [HOHOH]- (g) -487.5 -495.8 ± 1.1 kJ/mol 35.02317 ± 0.00064 12501-19-8*0 Isocyanic acid cation [HNCO]+ (g) 1002.97 1000.31 ± 0.50 kJ/mol 43.02423 ± 0.00086 444010-28-0*0 Fulminic acid cation [HCNO]+ (g) 1215.7 1213.0 ± 1.3 kJ/mol 43.02423 ± 0.00086 114766-65-3*0 Acetic acid CH3C(O)OH (aq, 1500 H2O) -484.91 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*840 Dioxygen O2 (g, singlet) 94.410 94.383 ± 0.000 kJ/mol 31.99880 ± 0.00060 7782-44-7*2 Acetyl chloride CH3C(O)Cl (l) -272.15 ± 0.33 kJ/mol 78.4973 ± 0.0019 75-36-5*500 Methyl formate HC(O)OCH3 (l) -388.50 ± 0.86 kJ/mol 60.0520 ± 0.0017 107-31-3*500 Ethyl formate HC(O)OCH2CH3 (g, anti) -355.5 -374.6 ± 1.4 kJ/mol 74.0785 ± 0.0025 109-94-4*2 2-Methoxy-2-oxoethyl CH2C(O)OCH3 (g, anti) -173.4 -188.5 ± 1.8 kJ/mol 73.0706 ± 0.0025 54668-31-4*2 (Acetyloxy)methyl CH3C(O)OCH2 (g, anti) -174.4 -187.4 ± 1.7 kJ/mol 73.0706 ± 0.0025 2887-49-2*2 NON NON (g) 545.5 542.6 ± 1.7 kJ/mol 44.01288 ± 0.00033 227934-46-5*0 Hydroxyoxoethenyl HOCCO (g) 24.2 22.5 ± 1.8 kJ/mol 57.0281 ± 0.0017 702699-39-6*0 Oxalic acid (C(O)OH)2 (g) -720.9 -731.5 ± 1.3 kJ/mol 90.0349 ± 0.0020 144-62-7*0 Hydrogen difluoride (F)(HF) (g, perp) -187.4 -187.1 ± 1.6 kJ/mol 39.004746 ± 0.000070 12528-21-1*2 Isocyanomethylidyne CNC (g) 672.2 676.5 ± 1.7 kJ/mol 38.0281 ± 0.0016 53590-27-5*0 Cyanomethylidyne CCN (g) 684.7 689.1 ± 2.1 kJ/mol 38.0281 ± 0.0016 4120-02-9*0 Tetrachloromethane CCl4 (l) -108.68 -128.09 ± 0.43 kJ/mol 153.8215 ± 0.0037 56-23-5*500 Dichloromethylene anion [CCl2]- (g) 75.63 77.91 ± 0.77 kJ/mol 82.9166 ± 0.0020 118364-73-1*0 Azanylium [NH2]+ (g) 1266.55 1264.48 ± 0.11 kJ/mol 16.02207 ± 0.00016 15194-15-7*0 Dichloromethylium [CHCl2]+ (g) 894.7 891.5 ± 1.2 kJ/mol 83.9235 ± 0.0020 56932-33-3*0 Dichloromethide [CHCl2]- (g) -40.9 -42.6 ± 2.0 kJ/mol 83.9246 ± 0.0020 32180-91-9*0 Hydrogen fluoride HF (aq, 50 H2O) -321.16 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*822 Chloromethylium [CH2Cl]+ (g) 962.4 958.5 ± 1.2 kJ/mol 49.4787 ± 0.0012 59000-00-9*0 Chloromethylene CHCl (g, triplet) 346.15 346.45 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*1 1,2-Dichloroethane CH2ClCH2Cl (cr,l) -165.74 ± 0.56 kJ/mol 98.9586 ± 0.0024 107-06-2*500 1,1-Dichloroethane CH3CHCl2 (cr,l) -163.87 ± 0.48 kJ/mol 98.9586 ± 0.0024 75-34-3*500 Oxochloronium [ClO]+ (g) 1150.86 1150.69 ± 0.66 kJ/mol 51.45155 ± 0.00095 12301-79-0*0 Ethylene cation [CH2CH2]+ (g) 1075.16 1067.95 ± 0.12 kJ/mol 28.0526 ± 0.0016 34470-02-5*0 Pentachloroethane CHCl2CCl3 (g) -151.3 -157.2 ± 1.9 kJ/mol 202.2928 ± 0.0048 76-01-7*0 Triiodide [I3]- (g) -254.3 -257.5 ± 3.4 kJ/mol 380.713959 ± 0.000090 14900-04-0*0 Hydroxydioxonitrate [HON(O)O]- (g) -193.2 -197.6 ± 2.4 kJ/mol 63.01343 ± 0.00091 58875-09-5*0 Chloroform CHCl3 (l) -133.48 ± 0.51 kJ/mol 119.3767 ± 0.0028 67-66-3*590 Chlorodibromomethane CHClBr2 (g) 18.8 -0.0 ± 3.4 kJ/mol 208.2793 ± 0.0023 124-48-1*0 Tribromofluoromethane CBr3F (g) -105.5 -129.5 ± 1.5 kJ/mol 270.7211 ± 0.0031 353-54-8*0 Tribromochloromethane CBr3Cl (g) 77.6 54.8 ± 1.5 kJ/mol 287.1754 ± 0.0032 594-15-0*0 1-Chloro ozone ClOOO (g, cis vdW) 226.3 223.1 ± 2.3 kJ/mol 83.4509 ± 0.0013 141801-66-3*101 Bromochloromethane CH2ClBr (g) -28.2 -42.2 ± 1.3 kJ/mol 129.3833 ± 0.0016 74-97-5*0 Hydrogen fluoride HF (aq, 22 H2O) -321.06 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*902 Ammonia NH3 (aq, undissoc) -80.886 ± 0.053 kJ/mol 17.03056 ± 0.00022 7664-41-7*1000 Fluoromethylene CHF (g) 148.38 148.67 ± 0.43 kJ/mol 32.01704 ± 0.00080 13453-52-6*0 Azidonitrene NNNN (g, Cs) 692.1 687.5 ± 1.4 kJ/mol 56.02696 ± 0.00028 147363-92-6*2 Ethyl iodide CH3CH2I (g) 8.70 -7.18 ± 0.49 kJ/mol 155.9656 ± 0.0016 75-03-6*0 1,2-Dibromoacetylene BrCCBr (g) 333.4 322.5 ± 2.3 kJ/mol 183.8294 ± 0.0026 624-61-3*0 Fluoro(fluorooxy)methylene FCOF (g, vdW triplet) -97.5 -95.6 ± 1.6 kJ/mol 66.00691 ± 0.00085 479587-30-9*101 Chlorite [OClO]- (g) -105.62 -107.79 ± 0.35 kJ/mol 67.4520 ± 0.0011 14998-27-7*0 Fluorooxomethylium [FCO]+ (g) 724.9 724.6 ± 1.2 kJ/mol 47.00795 ± 0.00085 38264-00-5*0 Fluoroisoformyl COF (g) -37.8 -32.4 ± 1.6 kJ/mol 47.00850 ± 0.00085 *1871-24-5*0 Ammonium nitrate (NH4)NO3 (cr,l) -350.29 -365.25 ± 0.18 kJ/mol 80.04344 ± 0.00095 6484-52-2*500 Benzene cation [C6H6]+ (g) 992.49 976.03 ± 0.23 kJ/mol 78.1113 ± 0.0048 34504-50-2*0 Trifluoromethide [CF3]- (g) -637.6 -639.4 ± 1.8 kJ/mol 69.00646 ± 0.00080 54128-17-5*0 Diiodide [I2]- (g) -178.13 -180.72 ± 0.48 kJ/mol 253.809489 ± 0.000060 12190-71-5*0 Nitronium [ONO]+ (g) 961.78 958.23 ± 0.20 kJ/mol 46.00499 ± 0.00060 14522-82-8*0 m-Chlorophenide [C6H4Cl]- (g) 172.2 162.0 ± 1.6 kJ/mol 111.5492 ± 0.0049 77748-34-6*0 p-Chlorophenide [C6H4Cl]- (g) 179.2 168.7 ± 1.5 kJ/mol 111.5492 ± 0.0049 77748-42-6*0 o-Chlorophenide [C6H4Cl]- (g) 158.2 148.3 ± 1.6 kJ/mol 111.5492 ± 0.0049 72863-53-7*0 Vinylidene CCH2 (g, triplet) 610.39 610.10 ± 0.50 kJ/mol 26.0373 ± 0.0016 2143-69-3*1 2-Oxopropylium [CH3C(O)CH2]+ (g) 784.4 770.6 ± 1.8 kJ/mol 57.0707 ± 0.0024 54088-52-7*0 Bromo hypobromite BrOBr (g) 120.5 104.0 ± 1.2 kJ/mol 175.8074 ± 0.0020 21308-80-5*0 2,3-Butanedione CH3C(O)C(O)CH3 (g) -310.85 -327.42 ± 0.66 kJ/mol 86.0892 ± 0.0033 431-03-8*0 1,2-Dibromoethane CH2BrCH2Br (g) -11.6 -38.5 ± 1.2 kJ/mol 187.8612 ± 0.0026 106-93-4*0 Peroxyimidogen NOO (g) 405.4 403.4 ± 1.9 kJ/mol 46.00554 ± 0.00060 *60488-31-5*0 2-Propynal CHCCHO (g) 135.5 133.4 ± 1.4 kJ/mol 54.0474 ± 0.0024 624-67-9*0 Fluorosyl fluoride FFO (g, triplet) 192.6 193.1 ± 2.3 kJ/mol 53.99621 ± 0.00030 86825-57-2*1 1-Isocyanoethylidene CH3CNC (g, triplet) 545.4 540.6 ± 1.6 kJ/mol 53.0627 ± 0.0024 *498544-34-6*1 3-Imino-2-propen-1-ylidene CHCHCNH (g, anti-triplet) 571.8 566.8 ± 1.6 kJ/mol 53.0627 ± 0.0024 916765-05-4*21 2-(Methylidyneamino)ethenyl CHCHNCH (g, anti-triplet) 634.4 629.7 ± 1.6 kJ/mol 53.0627 ± 0.0024 123416-74-0*21 Azete (CHCHCH)N (g) 469.4 461.3 ± 1.5 kJ/mol 53.0627 ± 0.0024 287-24-1*0 Oxadiazirene O(NN) (g) 351.7 349.9 ± 1.7 kJ/mol 44.01288 ± 0.00033 227934-45-4*0 2-Cyanovinylium [CHCHCN]+ (g, anti triplet) 1517.2 1515.1 ± 1.8 kJ/mol 52.0542 ± 0.0024 85398-67-0*21 2-Cyanovinyl anion [CHCHCN]- (g, syn) 263.7 260.8 ± 1.8 kJ/mol 52.0553 ± 0.0024 *85398-67-0*2 2-Isocyanovinyl CHCHNC (g, anti) 543.1 541.2 ± 1.7 kJ/mol 52.0547 ± 0.0024 225798-14-1*1 3-Oxo-1,2-propadienylidene CCCO (g) 330.0 335.9 ± 2.0 kJ/mol 52.0315 ± 0.0024 11127-17-6*0 Fulvene CH2C(CHCHCHCH) (g) 231.4 215.3 ± 1.4 kJ/mol 78.1118 ± 0.0048 497-20-1*0 5-Methyl-1,3-cyclopentadiene CH3CH(CHCHCHCH) (g) 133.4 110.4 ± 1.5 kJ/mol 80.1277 ± 0.0048 96-38-8*0 Carbonic acid C(O)(OH)2 (g) -602.78 -612.09 ± 0.75 kJ/mol 62.0248 ± 0.0012 463-79-6*0 Peroxyformic acid HC(O)OOH (g, gauche) -265.3 -273.2 ± 1.5 kJ/mol 62.0248 ± 0.0012 107-32-4*3 Ethynylene cation [C2]+ (g) 1965.20 1971.79 ± 0.50 kJ/mol 24.0209 ± 0.0016 12595-79-8*0 Chlorine difluoride ClFF (g) 22.5 23.9 ± 1.9 kJ/mol 73.44951 ± 0.00090 91483-78-2*0 Dihydrogen cation [H2]+ (g) 1488.364 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*0 Hydroxylamine cation [NH2OH]+ (g) 857.7 847.9 ± 1.6 kJ/mol 33.02941 ± 0.00037 62675-55-2*0 Perchloryloxy OCl(O)(O)O (g) 248.6 241.0 ± 1.8 kJ/mol 99.4503 ± 0.0015 12133-63-0*0 Hydrogen fluoride HF (l) -302.40 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*590 Cyclopropylidene C(CH2CH2) (g, triplet) 544.7 535.8 ± 1.5 kJ/mol 40.0639 ± 0.0024 2143-70-6*2 Trioxidaniumyl [HOOOH]+ (g, c, t) 935.2 926.1 ± 1.5 kJ/mol 50.01353 ± 0.00091 161321-37-5*3 Propynylidene cation [HCCCH]+ (g) 1410.8 1413.4 ± 1.3 kJ/mol 38.0474 ± 0.0024 75123-91-0*0 Propynylidene HCCCH (g, trans singlet) 597.3 599.1 ± 1.1 kJ/mol 38.0480 ± 0.0024 67152-18-5*4 Perchlorate [OCl(O)(O)O]- (g) -263.2 -272.1 ± 2.2 kJ/mol 99.4508 ± 0.0015 14797-73-0*0 Propadienylidenide [CH2CC]- (g) 381.11 382.01 ± 0.41 kJ/mol 38.0485 ± 0.0024 109292-49-1*0 1,2-Propadien-1-ylium-1-yl [CH2CC]+ (g) 1561.6 1562.8 ± 1.4 kJ/mol 38.0474 ± 0.0024 110714-00-6*0 Deuterium atom cation D+ (g) 1532.210 1534.123 ± 0.000 kJ/mol 2.01355319809 ± 0.00000000040 14464-47-2*0 Nitrogen hydride oxide NH3O (g) 71.2 60.0 ± 1.5 kJ/mol 33.02996 ± 0.00037 38544-48-8*0 Hydrogen fluoride HF (aq, 10 H2O) -320.88 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*815 Iminomethyl anion [HCNH]- (g, cis) 252.6 248.9 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*2 n-Pentane CH3CH2CH2CH2CH3 (cr,l) -156.05 -173.02 ± 0.31 kJ/mol 72.1488 ± 0.0041 109-66-0*500 iso-Pentane CH3CH2CH(CH3)2 (l) -178.43 ± 0.43 kJ/mol 72.1488 ± 0.0041 78-78-4*500 neo-Pentane C(CH3)4 (l) -189.90 ± 0.40 kJ/mol 72.1488 ± 0.0041 463-82-1*500 Cyclopentane CH2(CH2CH2CH2CH2) (l) -105.12 ± 0.39 kJ/mol 70.1329 ± 0.0041 287-92-3*590 Aminooxy cation [NH2O]+ (g) 946.09 938.96 ± 0.79 kJ/mol 32.02147 ± 0.00034 *51375-41-8*0 Fluorosyl fluoride anion [FFO]- (g, doublet) -147.2 -146.9 ± 3.0 kJ/mol 53.99675 ± 0.00030 *86825-57-2*2 1,5-Hexadiene CH2CHCH2CH2CHCH2 (g) 108.38 83.79 ± 0.40 kJ/mol 82.1436 ± 0.0049 592-42-7*0 1,3-Butadiyne-1,4-diyl CCCC (g) 1052.47 1062.45 ± 0.68 kJ/mol 48.0428 ± 0.0032 78015-07-3*0 Trioxidanylium [HOOO]+ (g, cis) 1085.2 1078.9 ± 1.4 kJ/mol 49.00559 ± 0.00090 74241-49-9*2 Ethoxy CH3CH2O (g) 1.27 -12.16 ± 0.47 kJ/mol 45.0605 ± 0.0017 2154-50-9*0 Dihydrogen fluoride anion [(HF)(H)]- (g, singlet) -61.9 -60.5 ± 3.2 kJ/mol 21.01483 ± 0.00014 117339-92-1*2 Hydrogen cyanide cation [HCN]+ (g) 1442.52 1442.05 ± 0.20 kJ/mol 27.02483 ± 0.00081 12601-62-6*0 Dihydrooxooxygen cation [(H2O)O]+ (g) 994.8 988.1 ± 1.6 kJ/mol 34.01413 ± 0.00062 177329-59-8*0 1-Hydrazinylium-1-yl [NNH2]+ (g) 1143.4 1136.4 ± 1.4 kJ/mol 30.02881 ± 0.00020 63986-30-1*0 Chlorine oxide peroxide OClOO (g, vdW) 226.5 227.4 ± 2.5 kJ/mol 83.4509 ± 0.0013 141801-67-4*100 Hydroxyaminylium [HNOH]+ (g, cis) 1048.5 1041.4 ± 2.6 kJ/mol 32.02147 ± 0.00034 66097-71-0*2 Trioxodinitrate anion [ONN(O)O]- (g, vdW) -104.3 -107.5 ± 1.9 kJ/mol 76.01223 ± 0.00091 194856-62-7*100 (E)-Diazene anion [HNNH]- (g, trans) 265.5 258.7 ± 2.0 kJ/mol 30.02991 ± 0.00020 *59952-06-6*0 Hydroxyamidogen anion [HNOH]- (g) 90.7 84.8 ± 2.8 kJ/mol 32.02257 ± 0.00034 *66097-71-0*0 Dicarbon monoxide cation [CCO]+ (g) 1433.9 1439.0 ± 2.1 kJ/mol 40.0203 ± 0.0016 12287-08-0*0 Nitrilomethylium [CN]+ (g) 1783.15 1786.63 ± 0.49 kJ/mol 26.01689 ± 0.00080 12539-57-0*0 C=O-C cation [COC]+ (g, quartet) 1816.8 1820.9 ± 2.0 kJ/mol 40.0203 ± 0.0016 83483-98-1*2 Oxirene anion [O(CHCH)]- (g) 288.2 285.3 ± 2.2 kJ/mol 42.0372 ± 0.0016 *157-18-6*0 (Z)-Diazene cation [HNNH]+ (g, cis) 1157.0 1150.1 ± 1.3 kJ/mol 30.02881 ± 0.00020 86631-37-0*0 Oxoethylidene HCC(O)H (g, triplet) 261.1 258.2 ± 1.1 kJ/mol 42.0367 ± 0.0016 39920-84-8*1 Formic acid anion [HC(O)OH]- (g, anti) -241.2 -247.0 ± 1.9 kJ/mol 46.0259 ± 0.0010 19066-82-1*2 Nitrosyl nitrate ON(O2)NO (g, perp) 70.6 62.3 ± 1.8 kJ/mol 92.0111 ± 0.0012 *15969-55-8*0 Dioxirane cation [CH2(OO)]+ (g) 1050.8 1043.1 ± 2.0 kJ/mol 46.0248 ± 0.0010 232262-10-1*0 Dioxymethyl cation [CH2OO]+ (g) 1074.9 1068.5 ± 1.8 kJ/mol 46.0248 ± 0.0010 232262-11-2*0 Oxadiazirine anion [O(NN)]- (g) 95.1 95.5 ± 2.9 kJ/mol 44.01343 ± 0.00033 350586-31-1*0 Dioxymethylene HCOO (g, cis) 341.8 339.8 ± 3.0 kJ/mol 45.0174 ± 0.0010 438586-67-5*2 OH-CO vdW complex (OH)(CO) (g, vdW) -80.26 -76.54 ± 0.88 kJ/mol 45.0174 ± 0.0010 *2564-85-4*100 CO-HO vdW complex (CO)(HO) (g, vdW) -77.4 -73.2 ± 1.3 kJ/mol 45.0174 ± 0.0010 *2564-84-3*100 Nitrous acid HONO (g) -73.005 -78.661 ± 0.079 kJ/mol 47.01348 ± 0.00061 7782-77-6*0 Cyanato cation [NCO]+ (g) 1261.47 1261.98 ± 0.58 kJ/mol 42.01629 ± 0.00086 17247-99-3*0 Ethane cation [CH3CH3]+ (g) 1043.14 1029.13 ± 0.59 kJ/mol 30.0685 ± 0.0017 34488-65-8*0 Nitrosomethyliumylidene [CNO]+ (g) 1509.6 1510.7 ± 1.7 kJ/mol 42.01629 ± 0.00086 67197-19-7*0 Fulminate [CNO]- (g) 59.4 59.7 ± 1.8 kJ/mol 42.01739 ± 0.00086 28269-67-2*0 Acetic acid CH3C(O)OH (l) -484.10 -483.67 ± 0.18 kJ/mol 60.0520 ± 0.0017 64-19-7*500 Acetic acid CH3C(O)OH (aq, 75 H2O) -484.71 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*825 Acetic acid CH3C(O)OH (aq, 700 H2O) -484.90 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*835 Diazenide [NNH]- (g, triplet) 347.4 344.6 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*1 Hydrogen bromide HBr (aq, 600 H2O) -120.16 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*834 Glyoxal OCHCHO (g, cis) -189.30 -194.75 ± 0.75 kJ/mol 58.0361 ± 0.0017 107-22-2*2 Glyoxal OCHCHO (g) -207.75 -213.31 ± 0.61 kJ/mol 58.0361 ± 0.0017 107-22-2*0 Ethynediol HOCCOH (g) -18.4 -22.2 ± 1.7 kJ/mol 58.0361 ± 0.0017 16005-17-7*0 Hydrogen bromide HBr (aq, 5000 H2O) -120.46 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*844 Dimethylaminylium [(CH3)2N]+ (g) 1040.2 1024.7 ± 1.8 kJ/mol 44.0752 ± 0.0017 49784-85-2*0 Diisocyanogen CNNC (g) 610.3 612.6 ± 1.8 kJ/mol 52.0349 ± 0.0016 78800-21-2*0 Dichloromethylene CCl2 (g, triplet) 313.63 314.84 ± 0.90 kJ/mol 82.9161 ± 0.0020 1605-72-7*1 Xenon cation Xe+ (g) 1170.354 1170.354 ± 0.0062 kJ/mol 131.2895 ± 0.0200 24203-25-6*0 Chloromethyliumyl [CHCl]+ (g) 1207.4 1207.6 ± 2.0 kJ/mol 48.4708 ± 0.0012 89877-51-0*0 Chloromethylene anion [CHCl]- (g) 203.44 204.26 ± 0.94 kJ/mol 48.4719 ± 0.0012 75466-08-9*0 Chlorohydroxymethyl CH(Cl)OH (g, anti-gauche) -46.1 -51.7 ± 2.0 kJ/mol 65.4787 ± 0.0012 147139-06-8*2 Hydrogen fluoride HF (aq, 60 H2O) -321.18 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*823 Aminyliumyl [NH]+ (g) 1659.03 1659.95 ± 0.24 kJ/mol 15.014131 ± 0.000099 19067-62-0*0 1,1,2-Trichloroethane CH2ClCHCl2 (l) -188.6 ± 1.4 kJ/mol 133.4033 ± 0.0031 79-00-5*500 Ethylene anion [CH2CH2]- (g, anti ?) 232.0 224.4 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*1 1,1,1,2-Tetrachloroethane CH2ClCCl3 (cr,l) -193.5 ± 1.1 kJ/mol 167.8481 ± 0.0039 630-20-6*500 Fluorodioxidenium [FOO]+ (g) 1221.9 1219.5 ± 2.0 kJ/mol 50.99665 ± 0.00060 139584-95-5*0 Hexachloroethane CCl3CCl3 (cr,l) -216.5 ± 2.8 kJ/mol 236.7376 ± 0.0056 67-72-1*500 3-Chloro-3-methyl-3H-diazirine (NN)CClCH3 (g) 251.4 239.5 ± 2.7 kJ/mol 90.5114 ± 0.0019 4222-21-3*0 trans-1,2-Dichloroethene CHClCHCl (g, trans) 5.30 -0.12 ± 0.54 kJ/mol 96.9427 ± 0.0024 156-60-5*0 Fluorodioxidanide [FOO]- (g) -256.8 -256.1 ± 1.9 kJ/mol 50.99775 ± 0.00060 23553-17-5*0 Dioxofluorine OFO (g) 524.0 523.2 ± 1.0 kJ/mol 50.99720 ± 0.00060 175861-93-5*0 Fluorochlorobromomethane CHFClBr (g) -218.2 -230.9 ± 4.9 kJ/mol 147.3737 ± 0.0016 593-98-6*0 Methyleneoxonium cation [CH2OH2]+ (g) 827.7 818.2 ± 1.7 kJ/mol 32.04131 ± 0.00090 *177788-17-9*0 Fluoromethyliumyl [CHF]+ (g) 1116.6 1116.9 ± 1.7 kJ/mol 32.01649 ± 0.00080 89877-52-1*0 Fluoromethylene anion [CHF]- (g) 95.93 96.46 ± 0.61 kJ/mol 32.01759 ± 0.00080 71267-42-0*0 Azidonitrene NNNN (g, C2h) 660.8 657.6 ± 1.6 kJ/mol 56.02696 ± 0.00028 147363-92-6*1 Polytetrafluoroethylene CF2CF2 (s) -829.63 ± 0.58 kJ/mol 100.0150 ± 0.0016 9002-84-0*591 Tetraoxidanyl (HO2)(O2) (g, vdW) 2.0 0.2 ± 3.0 kJ/mol 65.0055 ± 0.0012 69696-93-1*100 Hydroxymethanide [CH2OH]- (g) 9.4 2.8 ± 1.7 kJ/mol 31.03447 ± 0.00088 55830-71-2*0 Trifluoride ion [F3]- (g) -348.8 -349.7 ± 2.6 kJ/mol 56.9957582 ± 0.0000015 25730-99-8*0 Hydrogen chloride HCl (aq, 2000 H2O) -166.683 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*841 Nitric acid HON(O)O (aq, 1000 H2O) -206.32 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*839 trans-1,2-Difluoroethene CHFCHF (g, trans) -299.66 -306.10 ± 0.90 kJ/mol 64.0341 ± 0.0016 1630-78-0*0 Fluoroethynide [CCF]- (g) 133.3 137.5 ± 1.5 kJ/mol 43.0204 ± 0.0016 85905-56-2*0 Formyl fluoride cation [CHFO]+ (g) 816.6 813.3 ± 1.3 kJ/mol 48.01589 ± 0.00086 99766-68-4*0 Formaldehyde CH2O (g, singlet) -105.378 -109.217 ± 0.097 kJ/mol 30.02598 ± 0.00087 50-00-0*2 Formyl fluoride [FCO]- (g) -405.1 -403.7 ± 1.6 kJ/mol 47.00905 ± 0.00085 62227-71-8*0 Fluoroisoformyl cation [COF]+ (g) 1347.4 1349.5 ± 1.9 kJ/mol 47.00795 ± 0.00085 *1871-25-6*0 Nitric acid HON(O)O (cr,l) -179.01 -173.29 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*500 Hydrogen peroxide cation [H2O2]+ (g, cis) 930.98 924.12 ± 0.98 kJ/mol 34.01413 ± 0.00062 12325-10-9*2 Fluoroniumyl ion [HF]+ (g) 1275.565 1275.796 ± 0.050 kJ/mol 20.005795 ± 0.000070 12381-92-9*0 1-Chloro ozone anion [ClOOO]- (g, perp) -108.9 -111.4 ± 2.2 kJ/mol 83.4514 ± 0.0013 224299-15-4*3 o-Benzyne cation [C6H4]+ (g) 1392.7 1384.7 ± 1.7 kJ/mol 76.0954 ± 0.0048 70220-84-7*0 Hydrofluorate ion [HF]- (g) -75.6 -75.1 ± 1.8 kJ/mol 20.006892 ± 0.000070 37249-79-9*0 m-Benzyne cation [C6H4]+ (g) 1364.7 1356.1 ± 1.8 kJ/mol 76.0954 ± 0.0048 121058-08-0*0 p-Benzyne C6H4 (g, triplet) 603.4 594.1 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*1 Benzylium [C6H5CH2]+ (g) 929.38 909.89 ± 0.60 kJ/mol 91.1299 ± 0.0056 6711-19-9*0 Bifluoride [FHF]- (g) -705.20 -709.05 ± 0.36 kJ/mol 39.005295 ± 0.000070 18130-74-0*0 1,3-Cycloheptadiene CH2(CHCHCHCHCH2CH2) (g, c-c) 123.29 94.18 ± 0.78 kJ/mol 94.1543 ± 0.0056 4054-38-0*1 Tropylium [CH(CHCHCHCHCHCH)]+ (g) 898.0 878.2 ± 1.1 kJ/mol 91.1299 ± 0.0056 26811-28-9*0 Dioxaziridinyl cation [N(OO)]+ (g) 1365.9 1363.3 ± 1.7 kJ/mol 46.00499 ± 0.00060 *66252-29-7*0 Acetylene anion [HCCH]- (g, trans ?) 356.8 356.7 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*1 Hydroxymethylene cation [HCOH]+ (g, cis) 986.3 982.7 ± 1.6 kJ/mol 30.02543 ± 0.00087 135395-06-1*2 Hydroxymethylene cation [HCOH]+ (g, gauche quartet) 1482.1 1479.4 ± 1.9 kJ/mol 30.02543 ± 0.00087 135395-06-1*3 Acetone enol CH3C(OH)CH2 (g, anti) -147.4 -164.6 ± 1.3 kJ/mol 58.0791 ± 0.0025 29456-04-0*2 Hydroxymethylene anion [HCOH]- (g, cis) 160.2 157.5 ± 1.7 kJ/mol 30.02653 ± 0.00087 207914-87-2*2 Dioxaziridinyl anion [N(OO)]- (g) 295.9 293.4 ± 1.7 kJ/mol 46.00609 ± 0.00060 66252-31-1*0 cis-1,2-Dibromoethene CHBrCHBr (g, cis) 121.1 100.5 ± 2.1 kJ/mol 185.8453 ± 0.0026 590-11-4*0 Hydroxymethylene anion [HCOH]- (g, gauche quartet) 334.0 334.8 ± 2.1 kJ/mol 30.02653 ± 0.00087 207914-87-2*3 1,1-Dibromoethane CH3CHBr2 (g) -5.1 -32.1 ± 1.8 kJ/mol 187.8612 ± 0.0026 557-91-5*0 Krypton hydride cation [KrH]+ (g) 1106.33 1104.54 ± 0.69 kJ/mol 84.8074 ± 0.1000 37276-90-7*0 Hydrogen chloride HCl (aq, 75 H2O) -165.557 ± 0.026 kJ/mol 36.46064 ± 0.00090 7647-01-0*825 Aquacarbon H2OC (g, singlet vdW) 467.6 465.5 ± 1.9 kJ/mol 30.02598 ± 0.00087 81434-73-3*102 Formaldoxime CH2NOH (g, cis) 50.8 40.0 ± 1.8 kJ/mol 45.04066 ± 0.00088 75-17-2*2 Peroxyimidogen cation [NOO]+ (g) 1409.6 1406.8 ± 1.9 kJ/mol 46.00499 ± 0.00060 *60488-32-6*0 Oxaziridine CH2(NHO) (g) 115.8 104.0 ± 2.1 kJ/mol 45.04066 ± 0.00088 6827-26-5*0 Cyanoethynyl CCCN (g) 715.6 722.0 ± 1.2 kJ/mol 50.0388 ± 0.0024 62435-43-2*0 Hydrogen fluoride HF (aq, 18 H2O) -321.03 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*901 Trioxidanyl HOOO (g, cis) 26.30 23.02 ± 0.19 kJ/mol 49.00614 ± 0.00090 12500-78-6*2 Peroxyimidogen anion [NOO]- (g) 165.0 162.6 ± 1.7 kJ/mol 46.00609 ± 0.00060 60488-31-5*0 Aquacarbon cation [H2OC]+ (g) 1196.1 1193.0 ± 1.7 kJ/mol 30.02543 ± 0.00087 *81434-73-3*0 Nirous oxide cation [NNO]+ (g) 1329.67 1326.78 ± 0.12 kJ/mol 44.01233 ± 0.00033 12269-46-4*0 2-Methylene-2H-azirine (CHN)CCH2 (g) 404.2 396.8 ± 1.7 kJ/mol 53.0627 ± 0.0024 110027-86-6*0 Hydroxylamine NH2OH (g, cis) -15.4 -25.9 ± 1.4 kJ/mol 33.02996 ± 0.00037 7803-49-8*2 2-Cyanovinylium [CHCHCN]+ (g, syn triplet) 1517.4 1515.2 ± 1.8 kJ/mol 52.0542 ± 0.0024 85398-67-0*22 2-Cyanovinyl anion [CHCHCN]- (g, anti) 266.1 263.2 ± 1.8 kJ/mol 52.0553 ± 0.0024 *85398-67-0*1 2-Isocyanovinyl CHCHNC (g, syn) 544.6 542.6 ± 1.7 kJ/mol 52.0547 ± 0.0024 225798-14-1*2 Cyanomethylene HCCN (g, singlet) 529.5 530.6 ± 1.3 kJ/mol 39.0361 ± 0.0016 2612-62-6*2 Isocyanomethylene HCNC (g, triplet) 586.3 587.3 ± 1.7 kJ/mol 39.0361 ± 0.0016 78694-65-2*2 Cyclobutenyl CH2(CHCHCH) (g) 335.3 322.8 ± 2.2 kJ/mol 53.0825 ± 0.0032 24669-29-2*0 Butyraldehyde CH3CH2CH2CHO (g) -185.46 -205.83 ± 0.85 kJ/mol 72.1057 ± 0.0033 123-72-8*0 Nitrosyl fluoride FNO (g) -85.81 -88.18 ± 0.93 kJ/mol 49.00454 ± 0.00031 7789-25-5*0 Chloroallene CH2CCHCl (g) 181.5 174.9 ± 1.6 kJ/mol 74.5086 ± 0.0026 3223-70-9*0 1-Chloropropyne CH3CCCl (g) 191.3 187.2 ± 1.6 kJ/mol 74.5086 ± 0.0026 7747-84-4*0 Chlorine difluoride anion [FClF]- (g) -504.9 -505.7 ± 1.9 kJ/mol 73.45005 ± 0.00090 16892-05-0*0 Methylcyclopentane CH3CH(CH2CH2CH2CH2) (g) -69.36 -106.32 ± 0.38 kJ/mol 84.1595 ± 0.0049 96-37-7*0 Dihydrogen fluoride (H)(HF) (g) -55.9 -54.9 ± 1.6 kJ/mol 21.01428 ± 0.00014 12592-22-2*1 1-Chloro ozone anion [ClOOO]- (g, cis) -66.8 -68.7 ± 2.1 kJ/mol 83.4514 ± 0.0013 224299-15-4*1 Quartz SiO2 (cr, quartz) -906.11 -911.09 ± 0.94 kJ/mol 60.08430 ± 0.00067 14808-60-7*505 n-Hexane CH3CH2CH2CH2CH2CH3 (cr,l) -179.97 -198.63 ± 0.34 kJ/mol 86.1754 ± 0.0049 110-54-3*500 Cyclohexane CH2(CH2CH2CH2CH2CH2) (l) -156.14 ± 0.33 kJ/mol 84.1595 ± 0.0049 110-82-7*500 Aminooxy anion [NH2O]- (g) 47.4 40.5 ± 1.7 kJ/mol 32.02257 ± 0.00034 51375-41-8*0 iso-Proplylide [CH3CHCH3]- (g) 128.5 110.1 ± 1.6 kJ/mol 43.0882 ± 0.0024 25012-80-0*0 Aminomethyliumylidene [CNH2]+ (g) 1168.3 1165.1 ± 2.2 kJ/mol 28.03277 ± 0.00082 86784-42-1*0 1-Hydroxyethanide [CH3CHOH]- (g) -20.3 -33.7 ± 2.2 kJ/mol 45.0610 ± 0.0017 88032-18-2*0 Nitrosyl nitrate ONONO2 (g, trans) 48.3 40.3 ± 1.8 kJ/mol 92.0111 ± 0.0012 15969-55-8*1 Acetaldehyde anion [CH3CHO]- (g) -62.2 -72.5 ± 2.2 kJ/mol 44.0531 ± 0.0017 60427-04-5*0 1-Hydroxyethenyl CH2COH (g) 121.31 114.93 ± 0.99 kJ/mol 43.0446 ± 0.0016 81847-74-7*0 Ozone cation [OOO]+ (g) 1352.871 1350.531 ± 0.041 kJ/mol 47.99765 ± 0.00090 12596-82-6*0 Deuterium hydride cation [HD]+ (g) 1490.498 1490.587 ± 0.000 kJ/mol 3.021493 ± 0.000070 12181-16-7*0 Ketene cation [CH2CO]+ (g) 882.22 879.05 ± 0.12 kJ/mol 42.0361 ± 0.0016 64999-16-2*0 Ketene anion [CH2CO]- (g) -16.0 -19.1 ± 2.2 kJ/mol 42.0372 ± 0.0016 56391-79-8*0 Methylaminilium [CH3NH]+ (g) 1134.9 1125.1 ± 2.1 kJ/mol 30.04865 ± 0.00085 49784-84-1*0 Oxoethenylium [HCCO]+ (g) 1139.7 1142.4 ± 2.1 kJ/mol 41.0282 ± 0.0016 92056-63-8*0 Trioxidanylium [HOOO]+ (g) 1070.4 1064.2 ± 1.4 kJ/mol 49.00559 ± 0.00090 74241-49-9*0 Chloroniumyl ion [HCl]+ (g) 1137.797 1137.731 ± 0.0051 kJ/mol 36.46009 ± 0.00090 12258-94-5*0 Oxiranylidene CH2(CO) (g, triplet) 456.1 452.1 ± 2.2 kJ/mol 42.0367 ± 0.0016 50983-85-2*1 Oxiranylidene cation [CH2(CO)]+ (g) 1165.4 1161.9 ± 2.5 kJ/mol 42.0361 ± 0.0016 *50983-85-2*0 Oxiranylidene anion [CH2(CO)]- (g) 236.4 232.4 ± 2.3 kJ/mol 42.0372 ± 0.0016 *50983-86-3*0 Hydrooxonitrate [HNO]- (g) 78.59 75.68 ± 0.99 kJ/mol 31.01463 ± 0.00032 66057-02-1*0 Methyl hydroperoxide cation [CH3OOH]+ (g) 833.4 819.3 ± 2.2 kJ/mol 48.0407 ± 0.0010 112465-88-0*0 Dibromine Br2 (aq) -2.16 ± 0.20 kJ/mol 159.8080 ± 0.0020 7726-95-6*800 Methoxyoxoniumylidene [CH3OO]+ (g) 1013.65 1004.82 ± 0.69 kJ/mol 47.0328 ± 0.0010 86475-50-5*0 Hydroxyimidogen anion [NOH]- (g) 229.8 227.4 ± 2.2 kJ/mol 31.01463 ± 0.00032 *35337-59-8*0 Dioxirane anion [CH2(OO)]- (g) -173.0 -179.8 ± 3.4 kJ/mol 46.0259 ± 0.0010 *157-26-6*0 Dioxymethyl anion [CH2OO]- (g) 54.9 49.8 ± 1.4 kJ/mol 46.0259 ± 0.0010 93207-29-5*0 Hydrogen chloride HCl (aq, 1500 H2O) -166.637 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*840 Hydrogen bromide HBr (aq, 2570 H2O) -120.39 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*952 Cyclopropylide [CH(CH2CH2)]- (g) 264.7 251.9 ± 1.8 kJ/mol 41.0723 ± 0.0024 1724-45-4*0 H-CO2 vdW complex (H)(OCO) (g, vdW) -178.3 -177.5 ± 2.1 kJ/mol 45.0174 ± 0.0010 *2564-83-2*100 Chlorosyl chloride cation [ClClO]+ (g) 1132.6 1130.8 ± 2.0 kJ/mol 86.9043 ± 0.0018 *86825-56-1*0 Hydrogen bromide HBr (aq, 3000 H2O) -120.41 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*842 2-Propanol CH3CH(OH)CH3 (cr,l) -306.15 -318.96 ± 0.36 kJ/mol 60.0950 ± 0.0025 67-63-0*500 1-Propanol CH3CH2CH2OH (cr,l) -290.53 -302.71 ± 0.24 kJ/mol 60.0950 ± 0.0025 71-23-8*500 Hydroxyoxoammoniumyl [HONO]+ (g) 984.1 977.7 ± 1.8 kJ/mol 47.01293 ± 0.00061 80371-48-8*0 Isocyanomethylium [CH2NC]+ (g) 1272.8 1270.6 ± 2.2 kJ/mol 40.0435 ± 0.0016 78269-43-9*0 Dinitrogen pentoxide O2NONO2 (cr,l) -41.04 ± 0.42 kJ/mol 108.0105 ± 0.0015 10102-03-1*500 1,2-Propadien-1-yl-3-ylidene anion [CCC]- (g) 622.0 629.4 ± 1.3 kJ/mol 36.0326 ± 0.0024 109292-47-9*0 Oxazirinyl cation [C(NO)]+ (g) 1565.4 1566.1 ± 2.3 kJ/mol 42.01629 ± 0.00086 *228850-18-8*0 Oxazirinyl anion [C(NO)]- (g) 448.1 448.9 ± 2.4 kJ/mol 42.01739 ± 0.00086 28269-68-3*0 Chlorosyl chloride anion [ClClO]- (g) -185.4 -184.7 ± 2.3 kJ/mol 86.9053 ± 0.0018 *86825-55-0*0 1-Propenylidene CH3CHC (g, triplet) 630.3 622.8 ± 1.7 kJ/mol 40.0639 ± 0.0024 70277-78-0*2 2-Chloro ozone anion [ClO(O)O]- (g) -103.4 -105.6 ± 3.2 kJ/mol 83.4514 ± 0.0013 *141801-67-4*0 Hydrogen bromide HBr (aq, 2000 H2O) -120.36 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*841 1-Methoxyethenol CH2C(OH)OCH3 (g, anti-syn) -284.9 -304.2 ± 1.7 kJ/mol 74.0785 ± 0.0025 4453-91-2*1 Hydrogen chloride HCl (aq, 74 H2O) -165.546 ± 0.027 kJ/mol 36.46064 ± 0.00090 7647-01-0*953 Chloryl chloride ClCl(O)O (g) 126.1 122.1 ± 1.7 kJ/mol 102.9042 ± 0.0019 117489-73-3*0 Trifluorine cation [F3]+ (g) 1529.5 1527.4 ± 2.3 kJ/mol 56.9946610 ± 0.0000015 64710-22-1*0 Ethanium [C2H7]+ (g, classical Cs I) 888.7 870.3 ± 1.8 kJ/mol 31.0764 ± 0.0017 24669-33-8*2 Ethyl formate HC(O)OCH2CH3 (cr,l) -426.0 ± 1.2 kJ/mol 74.0785 ± 0.0025 109-94-4*500 Ethanium [C2H7]+ (g, classical Cs II) 895.1 877.3 ± 1.9 kJ/mol 31.0764 ± 0.0017 24669-33-8*3 Propionic acid CH3CH2C(O)OH (g, anti) -415.8 -433.4 ± 1.4 kJ/mol 74.0785 ± 0.0025 79-09-4*2 Methylimidogen anion [CH3N]- (g) 321.1 313.5 ± 1.4 kJ/mol 29.04181 ± 0.00083 82539-34-2*0 Cyanogen cation [NCCN]+ (g) 1598.23 1600.45 ± 0.43 kJ/mol 52.0343 ± 0.0016 37354-81-7*0 Isocyanogen CNCN (g) 411.0 413.3 ± 1.6 kJ/mol 52.0349 ± 0.0016 83951-85-3*0 Hydrogen difluoride cation [FFH]+ (g, singlet) 1174.3 1171.3 ± 1.5 kJ/mol 39.004198 ± 0.000070 *126950-54-7*2 Diazoethenylidene NNCC (g) 658.7 661.3 ± 1.8 kJ/mol 52.0349 ± 0.0016 130760-10-0*0 Isocyanomethyliumylidene [CNC]+ (g) 1615.7 1621.2 ± 1.9 kJ/mol 38.0276 ± 0.0016 78271-45-1*0 Isocyanomethylidyne anion [CNC]- (g) 479.2 482.9 ± 2.0 kJ/mol 38.0287 ± 0.0016 *53590-27-5*0 Cyanomethyliumylidene [CCN]+ (g) 1719.8 1725.3 ± 2.1 kJ/mol 38.0276 ± 0.0016 76619-90-4*0 Cyanomethylidyne anion [CCN]- (g) 410.0 413.7 ± 2.2 kJ/mol 38.0287 ± 0.0016 12373-35-2*0 2,3-didehydro-1H-azirin-1-yl N(CC) (g) 720.3 724.4 ± 2.1 kJ/mol 38.0281 ± 0.0016 439586-06-8*0 Hydrogen fluoride HF (aq, 55 H2O) -321.17 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*905 Tribromine Br3 (g) 155.9 134.2 ± 3.2 kJ/mol 239.7120 ± 0.0030 11094-39-6*0 Cyanoaminylium [HNCN]+ (g) 1363.2 1360.1 ± 2.5 kJ/mol 41.03157 ± 0.00082 205443-18-1*0 Cyanoamidogen anion [HNCN]- (g) 70.8 67.8 ± 1.4 kJ/mol 41.03267 ± 0.00082 67131-47-9*0 Ammonium radical NH4 (g) 190.01 179.42 ± 0.43 kJ/mol 18.03850 ± 0.00029 92075-50-8*0 Cyanamide NH2CN (g) 140.8 134.5 ± 1.5 kJ/mol 42.04006 ± 0.00082 420-04-2*0 Diazomethylene CNN (g) 579.3 580.0 ± 3.8 kJ/mol 40.02418 ± 0.00081 2468-81-7*0 Hydroperoxyimidogen HOON (g, trans) 103.3 99.8 ± 2.4 kJ/mol 47.01348 ± 0.00061 877456-58-1*1 Trichloromethylium [CCl3]+ (g) 854.35 852.84 ± 0.93 kJ/mol 118.3683 ± 0.0028 27130-34-3*0 Peroxychloric acid HOOCl(O)O (g) 77.5 69.3 ± 2.6 kJ/mol 100.4582 ± 0.0015 177778-91-5*0 Dichloromethyliumyl [CCl2]+ (g) 1121.6 1122.6 ± 1.8 kJ/mol 82.9156 ± 0.0020 55945-51-2*0 Tribromide [Br3]- (g) -287.4 -308.4 ± 1.9 kJ/mol 239.7125 ± 0.0030 14522-80-6*0 Cyanogen bromide anion [BrCN]- (g) 58.1 54.5 ± 3.8 kJ/mol 105.9220 ± 0.0013 54092-05-6*0 Hydrogen chloride HCl (aq, 2439 H2O) -166.712 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*951 Methyleneaminylium [CH2N]+ (g, triplet) 1456.6 1453.0 ± 2.1 kJ/mol 28.03277 ± 0.00082 53518-13-1*1 Imidogen anion [NH]- (g) 322.62 322.66 ± 0.16 kJ/mol 15.015229 ± 0.000099 23841-33-0*0 Methanimine cation [CH2NH]+ (g) 1056.1 1049.3 ± 1.8 kJ/mol 29.04071 ± 0.00083 65130-65-6*0 2-Cyclopropyn-1-ylidene C(CC) (g, singlet) 993.2 1000.1 ± 2.5 kJ/mol 36.0321 ± 0.0024 102508-15-6*2 Ethylene anion [CH2CH2]- (g, syn ?) 231.5 225.4 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*2 Hydrogen fluoride HF (aq, 23 H2O) -321.07 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*903 Nitric acid cation [HON(O)O]+ (g) 1029.14 1020.08 ± 0.69 kJ/mol 63.01233 ± 0.00091 272109-63-4*0 Triazirinylium ion [N(NN)]+ (g) 1608.9 1605.9 ± 1.6 kJ/mol 42.01967 ± 0.00021 92220-05-8*0 2-Propenylidyne anion [CH2CHC]- (g) 464.4 460.7 ± 1.7 kJ/mol 39.0565 ± 0.0024 120126-89-8*0 1-Ethylium-1-yl [CH3CH]+ (g) 1182.0 1174.6 ± 3.2 kJ/mol 28.0526 ± 0.0016 85944-79-2*0 Ethylidene anion [CH3CH]- (g) 325.6 318.3 ± 1.8 kJ/mol 28.0537 ± 0.0016 35829-99-3*0 Triazirine HN(NN) (g) 464.1 457.7 ± 2.6 kJ/mol 43.02816 ± 0.00022 157-29-9*0 Chloromethane cation [CH3Cl]+ (g) 1014.96 1008.19 ± 0.25 kJ/mol 50.4867 ± 0.0012 12538-71-5*0 Methanol anion [CH3OH]- (g) -89.1 -99.8 ± 2.8 kJ/mol 32.04241 ± 0.00090 68474-04-4*0 Methanimine anion [CH2NH]- (g) 224.4 217.2 ± 2.2 kJ/mol 29.04181 ± 0.00083 127593-73-1*0 2-Propen-3-yliumylidene [CHCHCH]+ (g) 1494.4 1491.4 ± 1.7 kJ/mol 39.0554 ± 0.0024 84654-86-4*0 Bromofluoromethane CH2FBr (g) -197.4 -211.9 ± 4.9 kJ/mol 112.9290 ± 0.0013 373-52-4*0 Hypochlorous acid cation [HOCl]+ (g) 998.91 995.87 ± 0.90 kJ/mol 52.45949 ± 0.00095 71606-47-8*0 Fluorodibromomethane CHFBr2 (g) -159.7 -179.3 ± 4.9 kJ/mol 191.8250 ± 0.0022 1868-53-7*0 2-Propenylidene anion [CHCHCH]- (g) 535.7 532.4 ± 1.7 kJ/mol 39.0565 ± 0.0024 98705-30-7*0 Difluorochlorobromomethane CF2ClBr (g) -428.9 -439.9 ± 4.9 kJ/mol 165.3642 ± 0.0016 353-59-3*0 Dichlorofluorobromomethane CCl2FBr (g) -228.3 -238.3 ± 4.9 kJ/mol 181.8185 ± 0.0022 353-58-2*0 Dibromofluorochloromethane CBr2FCl (g) -169.9 -186.8 ± 4.9 kJ/mol 226.2698 ± 0.0023 353-55-9*0 Krypton cation Kr+ (g) 1350.756 1350.756 ± 0.000 kJ/mol 83.7995 ± 0.1000 16915-28-9*0 Hypochlorous acid anion [HOCl]- (g) 198.7 198.4 ± 2.5 kJ/mol 52.46059 ± 0.00095 34524-94-2*0 Ammonium chloride (NH4)Cl (cr) -311.557 -314.718 ± 0.063 kJ/mol 53.49120 ± 0.00095 12125-02-9*510 Chloryl ion [OClO]+ (g) 1100.15 1097.49 ± 0.52 kJ/mol 67.4510 ± 0.0011 25052-55-5*0 2-Cyclopropyn-1-yl anion [C(CC)]- (g) 664.8 672.1 ± 1.6 kJ/mol 36.0326 ± 0.0024 500574-36-7*0 Chlorine difluoride cation [ClFF]+ (g) 1346.3 1344.9 ± 2.1 kJ/mol 73.44896 ± 0.00090 86825-59-4*0 Ammonium bromide (NH4)Br (cr) -253.41 -269.98 ± 0.17 kJ/mol 97.9425 ± 0.0010 12124-97-9*510 1,2-Difluoroacetylene cation [FCCF]+ (g) 1081.7 1084.5 ± 1.3 kJ/mol 62.0177 ± 0.0016 268566-70-7*0 Hydrogen chloride HCl (aq, 140 H2O) -165.946 ± 0.026 kJ/mol 36.46064 ± 0.00090 7647-01-0*907 Difluorophosgene cation [CF2O]+ (g) 653.45 650.69 ± 0.51 kJ/mol 66.00636 ± 0.00085 73256-56-1*0 Formaldehyde anion [CH2O]- (g) -26.7 -28.3 ± 2.0 kJ/mol 30.02653 ± 0.00087 27837-46-3*0 Triiodine cation [I3]+ (g) 946.1 941.0 ± 4.1 kJ/mol 380.712861 ± 0.000090 12596-32-6*0 Formaldehyde CH2O (g, triplet) 196.013 192.682 ± 0.097 kJ/mol 30.02598 ± 0.00087 50-00-0*1 Propynylidene HCCCH (g) 543.39 546.39 ± 0.63 kJ/mol 38.0480 ± 0.0024 67152-18-5*0 Chloro(chlorooxy)methylene ClCOCl (g, cis) 73.5 73.7 ± 3.6 kJ/mol 98.9155 ± 0.0020 479587-31-0*2 Chlorohydroxymethylene ClCOH (g, trans) 13.9 10.9 ± 2.6 kJ/mol 64.4707 ± 0.0012 147723-60-2*1 (Chlorooxy)methylene HCOCl (g, cis) 119.1 117.8 ± 2.7 kJ/mol 64.4707 ± 0.0012 331419-80-8*2 Dibromophosgene CBr2O (l) -144.12 ± 0.95 kJ/mol 187.8181 ± 0.0022 593-95-3*590 2-Chloroethanol ClCH2CH2OH (l) -314.92 ± 0.53 kJ/mol 80.5132 ± 0.0019 107-07-3*590 2-Bromoethanol BrCH2CH2OH (l) -274.57 ± 0.47 kJ/mol 124.9645 ± 0.0019 540-51-2*590 Water H2O (l, eq.press.) -285.831 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*589 Hydrogen fluoride HF (aq, 22.2 H2O) -321.06 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*888 Phenylium [C6H5]+ (g, singlet) 1148.42 1135.64 ± 0.85 kJ/mol 77.1034 ± 0.0048 17333-73-2*2 1-Cyclopropene-1,2-diyl CH2(CC) (g) 791.0 790.5 ± 1.5 kJ/mol 38.0480 ± 0.0024 202744-75-0*0 Nitrate [ON(O)O]- (aq) -206.64 ± 0.18 kJ/mol 62.00549 ± 0.00090 14797-55-8*800 m-Benzyne anion [C6H4]- (g) 444.0 435.1 ± 1.3 kJ/mol 76.0965 ± 0.0048 249589-31-9*0 p-Benzyne anion [C6H4]- (g) 465.0 455.4 ± 1.3 kJ/mol 76.0965 ± 0.0048 219298-17-6*0 Oxobromonium [BrO]+ (g) 1139.4 1131.7 ± 1.5 kJ/mol 95.9029 ± 0.0010 142315-39-7*0 Tetranitrogen cation [NNNN]+ (g) 1392.8 1392.5 ± 1.5 kJ/mol 56.02641 ± 0.00028 12185-04-5*0 Cycloheptane CH2(CH2CH2CH2CH2CH2C (cr,l) -126.90 -156.79 ± 0.51 kJ/mol 98.1861 ± 0.0057 291-64-5*500 Cyclopropenyliumdiyl [CH(CC)]+ (g) 1692.1 1695.0 ± 1.9 kJ/mol 37.0395 ± 0.0024 127476-05-5*0 Ethylbenzene C6H5CH2CH3 (cr,l) -12.56 ± 0.55 kJ/mol 106.1650 ± 0.0064 100-41-4*500 Phenylacetylene C6H5CCH (cr,l) 273.4 ± 1.1 kJ/mol 102.1332 ± 0.0064 536-74-3*500 Cyclopropynyl anion [CH(CC)]- (g) 518.08 521.07 ± 0.89 kJ/mol 37.0406 ± 0.0024 136861-42-2*0 Phenyloxoniumylidene [C6H5O]+ (g) 901.4 887.1 ± 2.2 kJ/mol 93.1028 ± 0.0048 41071-17-4*0 Anisole C6H5OCH3 (g) -47.81 -72.66 ± 0.80 kJ/mol 108.1378 ± 0.0056 100-66-3*0 Hydrogen fluoride HF (aq, 37 H2O) -321.13 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*890 Fluorobenzene C6H5F (cr,l) -151.81 -149.39 ± 0.89 kJ/mol 96.1023 ± 0.0048 462-06-6*500 Carbon atom C (g, triplet) 711.397 716.882 ± 0.047 kJ/mol 12.01070 ± 0.00080 7440-44-0*1 Acetylene anion [HCCH]- (g, cis ?) 380.1 380.3 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*2 Aminomethyliumyl [CHNH2]+ (g) 1039.5 1031.9 ± 2.3 kJ/mol 29.04071 ± 0.00083 89302-94-3*0 Fluorine atom cation F+ (g) 1758.310 1760.608 ± 0.048 kJ/mol 18.99785462 ± 0.00000050 14701-13-4*0 Bromobenzene C6H5Br (cr,l) 59.9 ± 1.3 kJ/mol 157.0079 ± 0.0049 108-86-1*500 Bromine dioxide OBrO (g) 167.1 157.5 ± 3.0 kJ/mol 111.9028 ± 0.0012 21255-83-4*0 Hydrogen fluoride HF (aq, 55.51 H2O) -321.17 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*891 Acetone CH3C(O)CH3 (cr,l) -245.06 -248.18 ± 0.36 kJ/mol 58.0791 ± 0.0025 67-64-1*500 Hypofluorous acid cation [HOF]+ (g) 1142.01 1138.99 ± 0.87 kJ/mol 36.00519 ± 0.00031 90243-22-4*0 Propionaldehyde CH3CH2CHO (cr,l) -218.18 -216.72 ± 0.29 kJ/mol 58.0791 ± 0.0025 123-38-6*500 Diazenium [NH2NH]+ (g) 968.56 957.30 ± 0.73 kJ/mol 31.03675 ± 0.00025 37369-93-0*0 trans-1,2-Dibromoethene CHBrCHBr (g, trans) 121.4 101.6 ± 2.1 kJ/mol 185.8453 ± 0.0026 590-12-5*0 1,1-Dibromoethene CH2CBr2 (g) 125.3 104.9 ± 2.2 kJ/mol 185.8453 ± 0.0026 593-92-0*0 Norbornadiene (CHCH)(CHCH2CH)(CHCH (g) 267.4 241.9 ± 1.0 kJ/mol 92.1384 ± 0.0056 121-46-0*0 Monoammonium succinate (CH2C(O)OH)2(NH3) (cr) -1067.97 ± 0.72 kJ/mol 135.1186 ± 0.0035 38457-08-8*510 Diammonium succinate (CH2COOH)2(NH3)2 (cr) -1182.52 ± 0.48 kJ/mol 152.1492 ± 0.0035 2226-88-2*510 Hydrogen chloride HCl (aq, 150 H2O) -165.979 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*829 Bicyclo[1.1.0]buta-1,3-diene-2,4-diyl C(CC)C (g) 1047.50 1055.09 ± 0.73 kJ/mol 48.0428 ± 0.0032 12184-80-4*0 Fluorosyl fluoride anion [FFO]- (g, quartet) -56.6 -55.7 ± 2.4 kJ/mol 53.99675 ± 0.00030 *86825-57-2*1 Acrolein CH2CHCHO (g, cis) -46.6 -56.9 ± 1.4 kJ/mol 56.0633 ± 0.0024 107-02-8*2 Ethenedione OCCO (g) 14.0 16.4 ± 2.3 kJ/mol 56.0202 ± 0.0017 4363-38-6*0 Ethenedione cation [OCCO]+ (g) 909.7 912.8 ± 2.3 kJ/mol 56.0197 ± 0.0017 12541-99-0*0 Methylammoniumyl [CH3NH2]+ (g) 865.81 851.88 ± 0.28 kJ/mol 31.05659 ± 0.00088 34516-31-9*0 Methylamine anion [CH3NH2]- (g) 84.1 69.3 ± 2.8 kJ/mol 31.05769 ± 0.00088 81096-79-9*0 Aminomethyl anion [CH2NH2]- (g) 209.4 199.1 ± 2.1 kJ/mol 30.04975 ± 0.00085 74215-21-7*0 Chlorine difluoride anion [ClFF]- (g) -319.0 -319.0 ± 2.2 kJ/mol 73.45005 ± 0.00090 91419-41-9*0 Hypofluorous acid anion [HOF]- (g, quartet) 155.3 154.7 ± 2.6 kJ/mol 36.00629 ± 0.00031 36505-07-4*2 Fluorosyl fluoride cation [FFO]+ (g, quartet) 1413.0 1413.4 ± 3.5 kJ/mol 53.99566 ± 0.00030 *86825-50-5*1 3-Imino-2-propen-1-ylidene CHCHCNH (g, anti-singlet) 532.9 527.8 ± 1.8 kJ/mol 53.0627 ± 0.0024 916765-05-4*12 Dioxodiazoxane ONONO (g, t, c) 109.3 105.2 ± 1.8 kJ/mol 76.01168 ± 0.00091 122413-35-8*2 3-Imino-2-propen-1-ylidene CHCHCNH (g, syn-triplet) 572.5 567.3 ± 2.0 kJ/mol 53.0627 ± 0.0024 916765-05-4*22 2-(Methylidyneamino)ethenyl CHCHNCH (g, syn-singlet) 604.4 599.6 ± 1.9 kJ/mol 53.0627 ± 0.0024 123416-74-0*12 2-(Methylidyneamino)ethenyl CHCHNCH (g, syn-triplet) 637.1 632.3 ± 2.0 kJ/mol 53.0627 ± 0.0024 123416-74-0*22 Peroxyhypochlorite [ClOO]- (g) -249.22 -248.20 ± 0.37 kJ/mol 67.4520 ± 0.0011 224299-14-3*0 1-Cyanovinylium [CH2CCN]+ (g) 1318.3 1317.1 ± 2.2 kJ/mol 52.0542 ± 0.0024 85399-09-3*0 Nirous oxide anion [NNO]- (g) 99.2 96.7 ± 1.9 kJ/mol 44.01343 ± 0.00033 12274-12-3*0 Carbon atom C (g, singlet) 833.328 838.475 ± 0.047 kJ/mol 12.01070 ± 0.00080 7440-44-0*2 Dioxygen O2 (g, triplet) -0.000 -0.000 ± 0.000 kJ/mol 31.99880 ± 0.00060 7782-44-7*1 Aminomethylene anion [CHNH2]- (g) 353.0 346.1 ± 2.3 kJ/mol 29.04181 ± 0.00083 207914-86-1*0 Tetraoxygen O4 (g, C2h singlet) 145.8 142.2 ± 3.8 kJ/mol 63.9976 ± 0.0012 12596-83-7*22 Hypobromous acid cation [HOBr]+ (g) 974.99 964.37 ± 0.53 kJ/mol 96.9108 ± 0.0010 154804-02-1*0 Tetrahedrane CH(CH(CHCH)) (g) 548.9 540.5 ± 1.5 kJ/mol 52.0746 ± 0.0032 157-39-1*0 Bromine atom Br (g, 2P3/2) 117.917 111.855 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*1 Cyanic azide NCNNN (g) 502.7 498.2 ± 1.9 kJ/mol 68.03766 ± 0.00085 764-05-6*0 Phenyl hydroperoxide C6H5OOH (g) 12.9 -6.1 ± 2.1 kJ/mol 110.1106 ± 0.0049 36112-26-2*0 Cyclopentene CH2(CH2CHCHCH2) (l) 4.41 ± 0.42 kJ/mol 68.1170 ± 0.0040 142-29-0*590 Methylcyclopentane CH3CH(CH2CH2CH2CH2) (cr,l) -116.74 -138.10 ± 0.38 kJ/mol 84.1595 ± 0.0049 96-37-7*500 1,2-Propadien-1-ylium-1-yl-3-ylidene [CCC]+ (g, lin) 1981.5 1989.4 ± 2.2 kJ/mol 36.0316 ± 0.0024 118090-85-0*1 Isopropylidene anion [CH3CCH3]- (g) 282.4 268.3 ± 2.0 kJ/mol 42.0803 ± 0.0024 *121408-19-3*0 NON cation [NON]+ (g) 1443.9 1444.1 ± 2.8 kJ/mol 44.01233 ± 0.00033 *227934-46-5*0 Dioxohydrazine ONNO (g, cis) 172.89 171.13 ± 0.14 kJ/mol 60.01228 ± 0.00062 16824-89-8*2 Dioxodiazoxane ONONO (g, c, p) 125.7 120.4 ± 2.1 kJ/mol 76.01168 ± 0.00091 122413-35-8*3 Acetic acid CH3C(O)OH (aq, 1000 H2O) -484.91 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*839 Trifluorine F3 (g) 80.6 81.9 ± 2.6 kJ/mol 56.9952096 ± 0.0000015 73455-86-4*0 Methyl acetate CH3C(O)OCH3 (l) -445.75 ± 0.61 kJ/mol 74.0785 ± 0.0025 79-20-9*500 Isoprene CH2C(CH3)CHCH2 (cr,l) 48.79 ± 0.69 kJ/mol 68.1170 ± 0.0040 78-79-5*500 Isodiazene anion [NNH2]- (g) 380.9 374.0 ± 2.1 kJ/mol 30.02991 ± 0.00020 *63986-30-1*0 Hydronium radical (H2O)(H) (g, vdW) -18.5 -21.6 ± 2.1 kJ/mol 19.02322 ± 0.00037 12168-76-2*100 Dihydrogen H2 (g, ortho) 1.417 0.019 ± 0.000 kJ/mol 2.01588 ± 0.00014 1333-74-0*1 Carbon dioxide anion [CO2]- (g) -340.6 -340.1 ± 2.2 kJ/mol 44.01005 ± 0.00100 14485-07-5*0 2-Hydroxyethenyl CHCHOH (g, cis-cis) 143.9 137.4 ± 1.1 kJ/mol 43.0446 ± 0.0016 108665-16-3*11 Isocyanic fluoride FNC (g) 301.3 303.1 ± 1.7 kJ/mol 45.01584 ± 0.00080 16992-26-0*0 2-Hydroxyethenyl CHCHOH (g, trans-trans) 147.2 140.9 ± 1.3 kJ/mol 43.0446 ± 0.0016 108665-16-3*22 Propionic acid CH3CH2C(O)OH (cr,l) -505.46 -509.61 ± 0.18 kJ/mol 74.0785 ± 0.0025 79-09-4*500 Ethylene glycol (CH2OH)2 (cr,l) -448.73 -455.25 ± 0.37 kJ/mol 62.0678 ± 0.0018 107-21-1*500 2-Hydroxyethenyl CHCHOH (g, cis-trans) 150.6 144.5 ± 1.6 kJ/mol 43.0446 ± 0.0016 108665-16-3*12 Ammonia anion [NH3]- (g) 94.3 87.2 ± 2.4 kJ/mol 17.03111 ± 0.00022 37353-00-7*0 Oxalic acid (C(O)OH)2 (cr) -819.57 -829.66 ± 0.42 kJ/mol 90.0349 ± 0.0020 144-62-7*500 Dimethylamine (CH3)2NH (l) -43.56 ± 0.38 kJ/mol 45.0837 ± 0.0017 124-40-3*500 Hydrogen bromide HBr (aq, 1000 H2O) -120.26 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*839 Hydrogen difluoride cation [(HF)(F)]+ (g, triplet) 1267.6 1265.4 ± 4.1 kJ/mol 39.004198 ± 0.000070 *126950-54-7*1 Trimethylamine (CH3)3N (l) -49.25 ± 0.98 kJ/mol 59.1103 ± 0.0025 75-50-3*500 Cyanogen anion [NCCN]- (g) 281.5 284.7 ± 2.2 kJ/mol 52.0354 ± 0.0016 11118-88-0*0 1,3-Propanediyl CH2CH2CH2 (g, triplet) 320.0 308.1 ± 1.6 kJ/mol 42.0797 ± 0.0024 32458-33-6*1 n-Heptane CH3(CH2)5CH3 (cr,l) -201.72 -224.17 ± 0.48 kJ/mol 100.2019 ± 0.0057 142-82-5*500 Diisocyanogen cation [CNNC]+ (g, trans) 1824.8 1827.5 ± 3.3 kJ/mol 52.0343 ± 0.0016 *78800-21-2*1 Isocyanogen chloride ClNC (g) 314.5 316.2 ± 2.4 kJ/mol 61.4701 ± 0.0012 75754-69-7*0 Cyanoaminyliumyl [NCN]+ (g) 1671.6 1672.9 ± 2.6 kJ/mol 40.02363 ± 0.00081 316122-03-9*0 Cyanoamidogen anion [NCN]- (g) 210.91 210.84 ± 0.77 kJ/mol 40.02473 ± 0.00081 189879-95-6*0 n-Octane CH3(CH2)6CH3 (cr,l) -226.66 -249.78 ± 0.67 kJ/mol 114.2285 ± 0.0065 111-65-9*500 1,5-Hexadiene CH2CHCH2CH2CHCH2 (cr,l) 54.43 ± 0.32 kJ/mol 82.1436 ± 0.0049 592-42-7*500 Cyanamide NH2CN (cr) 58.89 ± 0.54 kJ/mol 42.04006 ± 0.00082 420-04-2*500 Dioxiranylidene anion [C(OO)]- (g, ?) -110.2 -109.7 ± 3.0 kJ/mol 44.01005 ± 0.00100 *138832-58-3*0 Diazomethyliumyl [CNN]+ (g) 1641.2 1642.4 ± 4.1 kJ/mol 40.02363 ± 0.00081 307495-90-5*0 Diazomethylene anion [CNN]- (g) 408.3 408.5 ± 3.8 kJ/mol 40.02473 ± 0.00081 205498-92-6*0 3H-Diazirin-3-ylidene C(NN) (g) 578.8 579.2 ± 2.7 kJ/mol 40.02418 ± 0.00081 253308-70-2*0 Dioxygen difluoride OOF2 (g) 75.1 71.6 ± 3.6 kJ/mol 69.99561 ± 0.00060 183051-89-0*0 Trioxidanyl HOOO (g) 25.32 23.23 ± 0.13 kJ/mol 49.00614 ± 0.00090 12500-78-6*0 Ethynylene C2 (g, triplet) 827.55 834.25 ± 0.26 kJ/mol 24.0214 ± 0.0016 12070-15-4*1 Chloromethyliumylidene [CCl]+ (g) 1282.6 1285.7 ± 2.4 kJ/mol 47.4629 ± 0.0012 69773-94-0*0 Chloromethylidyne anion [CCl]- (g) 319.7 323.4 ± 2.5 kJ/mol 47.4639 ± 0.0012 117129-77-8*0 Isocyanogen bromide BrNC (g) 341.4 335.7 ± 3.4 kJ/mol 105.9214 ± 0.0013 65997-98-0*0 Dihydrogen fluoride (HF)(H) (g) -56.5 -54.1 ± 1.7 kJ/mol 21.01428 ± 0.00014 12592-22-2*2 1-Propynylium [CH3CC]+ (g) 1547.0 1545.1 ± 3.1 kJ/mol 39.0554 ± 0.0024 24858-94-4*0 Bromoniumyl [HBr]+ (g) 1098.01 1090.17 ± 0.15 kJ/mol 80.9114 ± 0.0010 12258-64-9*0 Tetraoxodinitrogen cation [O2NNO2]+ (g) 1030.6 1025.1 ± 2.6 kJ/mol 92.0105 ± 0.0012 64476-91-1*0 Trihydrogen H(HH) (g, 2p 2A2" Ry) 756.931 754.146 ± 0.015 kJ/mol 3.02382 ± 0.00021 12184-91-7*2 Cycloprop-1-enylium [CH2(CHC)]+ (g) 1502.2 1497.9 ± 2.2 kJ/mol 39.0554 ± 0.0024 117067-78-4*0 Hydrochlorate ion [HCl]- (g) -25.2 -24.2 ± 2.5 kJ/mol 36.46119 ± 0.00090 63099-75-2*0 1,1,1-Trichloroethane CH3CCl3 (l) -177.54 ± 0.49 kJ/mol 133.4033 ± 0.0031 71-55-6*500 Cycloprop-1-enylide [CH2(CHC)]- (g) 373.4 369.0 ± 2.2 kJ/mol 39.0565 ± 0.0024 80251-77-0*0 Acetonitrile CH3CN (cr,l) 40.59 ± 0.23 kJ/mol 41.0520 ± 0.0016 75-05-8*500 Isocyanogen iodide INC (g) 341.7 342.0 ± 4.9 kJ/mol 152.92191 ± 0.00080 66004-32-8*0 Cycloprop-2-enylide [CH(CHCH)]- (g) 514.8 511.8 ± 2.2 kJ/mol 39.0565 ± 0.0024 20829-57-6*0 Isocyanogen iodide anion [INC]- (g) 123.0 125.2 ± 9.3 kJ/mol 152.92246 ± 0.00080 *66004-32-8*0 Dioxymethylidyne cation [COO]+ (g, doublet) 1436.6 1439.0 ± 2.7 kJ/mol 44.00895 ± 0.00100 *791121-04-5*2 Vinyl chloride CH2CHCl (cr,l) -2.7 1.9 ± 1.9 kJ/mol 62.4979 ± 0.0018 75-01-4*500 Poly(vinylchloride) CH2CHCl (s, poly) -84.6 -94.0 ± 1.3 kJ/mol 62.4979 ± 0.0018 9002-86-2*500 1,1-Dichloroethene CH2CCl2 (l) -23.80 ± 0.50 kJ/mol 96.9427 ± 0.0024 75-35-4*500 Chlorine chlorite ClOClO (g, cis) 177.4 175.0 ± 2.2 kJ/mol 102.9042 ± 0.0019 105206-44-8*2 Perchloryl cation [OCl(O)O]+ (g) 1252.1 1246.3 ± 2.5 kJ/mol 83.4504 ± 0.0013 23594-88-9*0 Dihydrogen cation [H2]+ (g, ortho) 1489.060 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*1 Hydrogen fluoride HF (aq, 18.5 H2O) -321.03 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*887 Dichloromethane CH2Cl2 (l) -122.42 ± 0.54 kJ/mol 84.9320 ± 0.0020 75-09-2*590 Hydrogen chloride HCl (aq, 3000 H2O) -166.741 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*842 Methanol dimer (CH3OH)2 (g) -398.5 -419.2 ± 1.4 kJ/mol 64.0837 ± 0.0018 42845-44-3*0 Dioxymethylidyne cation [(C)(OO)]+ (g, vdW quartet) 1388.2 1391.7 ± 3.2 kJ/mol 44.00895 ± 0.00100 *791121-04-5*101 Difluoromethylene anion [CF2]- (g) -211.17 -209.99 ± 0.60 kJ/mol 50.00805 ± 0.00080 66212-40-6*0 Fluoromethylidyne anion [CF]- (g) 200.8 204.3 ± 1.9 kJ/mol 31.00965 ± 0.00080 33412-12-3*0 Cyclopropenylidene anion [C(CHCH)]- (g) 544.2 543.8 ± 2.2 kJ/mol 38.0485 ± 0.0024 *16165-40-5*0 Tetraoxidanyl HOOOO (g, cis) 53.0 46.0 ± 5.1 kJ/mol 65.0055 ± 0.0012 69696-93-1*2 Difluorovinylidene CCF2 (g) 129.4 130.7 ± 2.2 kJ/mol 62.0182 ± 0.0016 41895-33-4*0 Nitric acid HON(O)O (aq, 1 H2O) -186.85 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*801 Fluoroethynylium [CCF]+ (g) 1536.2 1540.9 ± 2.3 kJ/mol 43.0193 ± 0.0016 268566-69-4*0 Peroxychlorous acid HOOClO (g, anti) 103.5 97.6 ± 2.5 kJ/mol 84.4588 ± 0.0013 177778-92-6*2 Bromoacetylene HCCBr (g) 282.1 275.6 ± 1.6 kJ/mol 104.9333 ± 0.0019 593-61-3*0 Nitric acid HON(O)O (aq, 3 H2O) -197.76 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*805 2-Oxo-1-ethylium-1-yl [HCC(O)H]+ (g, anti-quartet) 1289.4 1286.0 ± 2.5 kJ/mol 42.0361 ± 0.0016 214464-96-7*11 Oxoethylidene anion [HCC(O)H]- (g, anti-gauche) 86.9 83.6 ± 2.1 kJ/mol 42.0372 ± 0.0016 106543-38-8*1 Chloro(chlorooxy)methylene ClCOCl (g, trans singlet) 98. 101. ± 15. kJ/mol 98.9155 ± 0.0020 479587-31-0*11 Paraformaldehyde CH2O (cr, paraformaldehyde) -179.2 ± 1.6 kJ/mol 30.02598 ± 0.00087 30525-89-4*500 Chlorooxomethylium [ClCO]+ (g) 783.7 783.9 ± 2.2 kJ/mol 63.4623 ± 0.0012 38264-03-8*0 Tetrazete N(NNN) (g, D2h) 764.9 759.0 ± 1.8 kJ/mol 56.02696 ± 0.00028 42851-09-2*0 Oxygen atom hexacation [O]+6 (g) 42035.28 42037.14 ± 0.12 kJ/mol 15.99611 ± 0.00030 14158-22-6*0 2-Iodoethanol ICH2CH2OH (l) -207.2 ± 2.4 kJ/mol 171.9650 ± 0.0017 624-76-0*590 Tetraazatetrahedrane N(N(N)N) (g, Td) 763.7 757.2 ± 1.7 kJ/mol 56.02696 ± 0.00028 12596-63-3*0 1,3-Butadiyne cation [HCCCCH]+ (g) 1439.72 1441.58 ± 0.80 kJ/mol 50.0581 ± 0.0032 55468-55-8*0 Hydrogen difluoride cation [FHF]+ (g, triplet ?) 1241. 1238. ± 17. kJ/mol 39.004198 ± 0.000070 126950-54-7*1 Carbon suboxide cation [OCCCO]+ (g) 928.3 931.8 ± 1.3 kJ/mol 68.0304 ± 0.0025 151528-67-5*0 Carbon suboxide anion [OCCCO]- (g) -131.4 -128.0 ± 2.5 kJ/mol 68.0314 ± 0.0025 109362-94-9*0 Benzene anion [C6H6]- (g) 209.1 197.2 ± 1.2 kJ/mol 78.1124 ± 0.0048 34562-85-1*0 Nitric acid trihydrate (HON(O)O)(H2O)3 (cr,l) -1062.10 -1055.25 ± 0.21 kJ/mol 117.0587 ± 0.0019 13444-83-2*500 o-Benzyne C6H4 (g, triplet) 625.5 616.2 ± 1.1 kJ/mol 76.0960 ± 0.0048 462-80-6*1 Nitric acid monohydrate (HON(O)O)(H2O) (cr,l) -479.18 -472.68 ± 0.19 kJ/mol 81.0282 ± 0.0012 13444-82-1*500 Dioxiranylidene cation [C(OO)]+ (g) 1409.1 1410.3 ± 2.6 kJ/mol 44.00895 ± 0.00100 *138832-57-2*0 2-Propen-3-ylium-1-ylidyne [CHCHC]+ (g) 1791.1 1792.7 ± 2.6 kJ/mol 38.0474 ± 0.0024 161054-36-0*0 Ethyl hydroperoxide CH3CH2OOH (cr,l) -205. ± 21. kJ/mol 62.0678 ± 0.0018 3031-74-1*500 m-Benzyne C6H4 (g) 526.9 518.4 ± 1.2 kJ/mol 76.0960 ± 0.0048 1828-89-3*0 Propenediylidene anion [CHCHC]- (g) 588.8 590.0 ± 2.3 kJ/mol 38.0485 ± 0.0024 *161054-36-0*0 p-Benzyne cation [C6H4]+ (g) 1424.8 1417.6 ± 2.1 kJ/mol 76.0954 ± 0.0048 121058-09-1*0 p-Benzyne C6H4 (g) 586.9 577.5 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*0 Toluene C6H5CH3 (l) 19.72 11.97 ± 0.34 kJ/mol 92.1384 ± 0.0056 108-88-3*500 Cyclopentadienylium [CH(CHCHCHCH)]+ (g) 1087.60 1074.73 ± 0.92 kJ/mol 65.0927 ± 0.0040 29661-18-5*0 Triiodine I3 (g) 153.4 149.4 ± 3.6 kJ/mol 380.713410 ± 0.000090 12596-31-5*0 Hydraziniumyl [NH2NH2]+ (g) 886.6 873.2 ± 2.0 kJ/mol 32.04469 ± 0.00031 20771-51-1*0 Cycloheptene CH2(CHCHCH2CH2CH2CH2 (cr,l) -25.5 -46.6 ± 1.7 kJ/mol 96.1702 ± 0.0057 628-92-2*500 Hydroxylamine NH2OH (aq, undissoc) -97.1 ± 2.2 kJ/mol 33.02996 ± 0.00037 7803-49-8*1000 Cycloheptatriene CH2(CHCHCHCHCHCH) (cr,l) 153.74 144.95 ± 0.97 kJ/mol 92.1384 ± 0.0056 544-25-2*500 1-Propenylium [CH3CHCH]+ (g, cis) 1231.9 1221.6 ± 1.7 kJ/mol 41.0713 ± 0.0024 50457-58-4*2 Nitrosyl nitrite anion [ONONO]- (g, t, t) -103.1 -106.2 ± 2.8 kJ/mol 76.01223 ± 0.00091 *122413-35-8*1 Phenylethene C6H5CHCH2 (cr,l) 104.30 ± 0.48 kJ/mol 104.1491 ± 0.0064 100-42-5*500 Hydrazine NH2NH2 (cr,l) 57.25 50.68 ± 0.18 kJ/mol 32.04524 ± 0.00031 302-01-2*500 Phenol C6H5OH (cr,l) -146.55 -162.39 ± 0.65 kJ/mol 94.1112 ± 0.0048 108-95-2*500 Formic acid HC(O)OH (cr,l) -431.56 -424.72 ± 0.20 kJ/mol 46.0254 ± 0.0010 64-18-6*500 1-Propenylide [CH3CHCH]- (g, cis) 204.1 192.8 ± 1.8 kJ/mol 41.0723 ± 0.0024 65887-20-9*2 Anisole C6H5OCH3 (l) -119.58 ± 0.77 kJ/mol 108.1378 ± 0.0056 100-66-3*500 Peroxynitrous acid HOONO (g) -5.81 -11.64 ± 0.36 kJ/mol 63.01288 ± 0.00091 14691-52-2*0 Benzaldehyde C6H5C(O)H (cr,l) -85.8 -86.8 ± 1.1 kJ/mol 106.1219 ± 0.0056 100-52-7*500 (Z)-Diazene anion [HNNH]- (g, cis) 280.0 273.3 ± 2.0 kJ/mol 30.02991 ± 0.00020 *86631-37-0*0 Fluorobenzene anion [C6H5F]- (g) -18.3 -30.2 ± 1.8 kJ/mol 96.1029 ± 0.0048 34561-55-2*0 m-Chlorophenylium [C6H4Cl]+ (g) 1159.9 1149.8 ± 2.6 kJ/mol 111.5481 ± 0.0049 127983-85-1*0 p-Chlorophenylium [C6H4Cl]+ (g) 1147.2 1137.7 ± 2.5 kJ/mol 111.5481 ± 0.0049 42766-43-8*0 o-Chlorophenylium [C6H4Cl]+ (g) 1166.5 1157.2 ± 2.5 kJ/mol 111.5481 ± 0.0049 137963-70-3*0 Hydroxyoxoammoniumyl [HONO]+ (g, trans) 984.1 977.7 ± 1.8 kJ/mol 47.01293 ± 0.00061 80371-48-8*1 Iodobenzene cation [C6H5I]+ (g) 1022.69 1007.25 ± 0.99 kJ/mol 204.0078 ± 0.0048 38406-85-8*0 1-Ethenylium-1-yl [CCH2]+ (g) 1507.0 1507.1 ± 2.1 kJ/mol 26.0367 ± 0.0016 80541-07-7*0 Carbon dioxide cation [CO2]+ (g, quartet) 1335.0 1335.5 ± 2.4 kJ/mol 44.00895 ± 0.00100 12181-61-2*1 Nitrobenzene C6H5N(O)O (cr,l) 6.4 ± 1.4 kJ/mol 123.1094 ± 0.0049 98-95-3*500 Nitromethane CH3N(O)O (cr,l) -114.17 -112.98 ± 0.43 kJ/mol 61.0401 ± 0.0010 75-52-5*500 Peroxyhypochlorous acid cation [HOOCl]+ (g, trans) 1030.3 1024.5 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*1 Hydrogen fluoride HF (aq, 400 H2O) -321.47 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*832 2,2,4-Trimethylpentane (CH3)2CHCH2C(CH3)3 (cr,l) -224.5 -258.9 ± 1.5 kJ/mol 114.2285 ± 0.0065 540-84-1*500 Formyloxidanyl HC(O)O (g) -125.91 -127.27 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*0 Norbornadiene (CHCH)(CHCH2CH)(CHCH (l) 208.6 ± 1.2 kJ/mol 92.1384 ± 0.0056 121-46-0*500 2,3-Butanedione CH3C(O)C(O)CH3 (cr,l) -365.66 ± 0.53 kJ/mol 86.0892 ± 0.0033 431-03-8*500 Succinic acid (CH2C(O)OH)2 (g) -802.9 -825.1 ± 3.0 kJ/mol 118.0880 ± 0.0034 110-15-6*0 Dioxiranyl HC(OO) (g) 217.3 213.8 ± 2.0 kJ/mol 45.0174 ± 0.0010 120595-16-6*0 NON anion [NON]- (g) 495.3 492.8 ± 2.5 kJ/mol 44.01343 ± 0.00033 *227934-47-6*0 1,2-Diiodoethane CH2ICH2I (g) 87.79 73.13 ± 0.90 kJ/mol 281.8621 ± 0.0016 624-73-7*0 1,2-Diiodoethane CH2ICH2I (cr,l) 9.26 ± 0.60 kJ/mol 281.8621 ± 0.0016 624-73-7*500 Helium hydride cation [HeH]+ (g) 1350.148 1348.258 ± 0.000 kJ/mol 5.009993 ± 0.000070 17009-49-3*0 Xenon hydride cation [XeH]+ (g) 1038.03 1036.26 ± 0.89 kJ/mol 132.2974 ± 0.0200 37276-91-8*0 2-Butanone CH3CH2C(O)CH3 (cr,l) -267.90 -273.39 ± 0.79 kJ/mol 72.1057 ± 0.0033 78-93-3*500 2,4,5-Trioxa-1,3-diazabicyclo[1.1.1]pentane N(O3)N (g) 602.5 593.3 ± 2.1 kJ/mol 76.01168 ± 0.00091 224950-18-9*0 Cyclopropylium [CH(CH2CH2)]+ (g) 1104.5 1093.0 ± 2.5 kJ/mol 41.0713 ± 0.0024 1724-43-2*0 Hydrazoic acid cation [HNNN]+ (g) 1333.66 1327.99 ± 0.83 kJ/mol 43.02761 ± 0.00022 58852-14-5*0 Acrolein CH2CHCHO (cr,l) -95.8 ± 1.4 kJ/mol 56.0633 ± 0.0024 107-02-8*500 Hydrazoic acid anion [HNNN]- (g, trans) 309.0 302.7 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*1 Ethenedione anion [OCCO]- (g) -148.4 -145.8 ± 2.4 kJ/mol 56.0207 ± 0.0017 77783-15-4*0 Hydrogen chloride HCl (aq, 200 H2O) -166.105 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*830 Urea NH2C(O)NH2 (cr,l) -317.79 -333.38 ± 0.12 kJ/mol 60.05534 ± 0.00091 57-13-6*500 Formamide CH(O)NH2 (cr,l) -251.01 ± 0.29 kJ/mol 45.04066 ± 0.00088 75-12-7*500 Peroxyhypochlorous acid anion [HOOCl]- (g, cis quartet) -32.2 -34.0 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*2 Acetamide CH3C(O)NH2 (cr,l) -315.78 ± 0.56 kJ/mol 59.0672 ± 0.0017 60-35-5*500 Ethoxyethane CH3CH2OCH2CH3 (cr,l) -265.43 -277.74 ± 0.82 kJ/mol 74.1216 ± 0.0033 60-29-7*500 Trioxidane HOOOH (g) -82.01 -90.61 ± 0.63 kJ/mol 50.01408 ± 0.00091 14699-99-1*0 Acrylonitrile CH2CHCN (g, triplet) 446.3 440.9 ± 1.8 kJ/mol 53.0627 ± 0.0024 107-13-1*2 Acrylonitrile CH2CHCN (cr,l) 146.26 153.92 ± 0.78 kJ/mol 53.0627 ± 0.0024 107-13-1*500 Isocyanoethene CH2CHNC (g, triplet) 544.0 539.1 ± 1.8 kJ/mol 53.0627 ± 0.0024 14668-82-7*2 Cyclobutane CH2(CH2CH2CH2) (l) 3.90 ± 0.40 kJ/mol 56.1063 ± 0.0032 287-23-0*590 Bromosyl bromide BrBrO (g) 179.0 163.2 ± 2.1 kJ/mol 175.8074 ± 0.0020 68322-97-4*0 1-Isocyanoethylidene CH3CNC (g) 527.7 523.0 ± 1.1 kJ/mol 53.0627 ± 0.0024 *498544-34-6*0 Nitrous acid anion [HONO]- (g, cis) -105.85 -110.48 ± 0.78 kJ/mol 47.01403 ± 0.00061 256393-36-9*2 Methylcyclopropane CH3CH(CH2CH2) (l) 1.83 ± 0.59 kJ/mol 56.1063 ± 0.0032 594-11-6*590 Carbon monoxide anion [CO]- (g) 30.0 33.7 ± 2.3 kJ/mol 28.01065 ± 0.00085 12539-63-8*0 Methylamine CH3NH2 (l) -45.36 ± 0.46 kJ/mol 31.05714 ± 0.00088 74-89-5*500 Trioxirane O(OO) (g) 272.7 270.1 ± 1.3 kJ/mol 47.99820 ± 0.00090 153851-84-4*0 Deuterium hydride HD (g) 0.328 0.319 ± 0.000 kJ/mol 3.022042 ± 0.000070 13983-20-5*0 1-Methyl-1-ethylium-1-yl [CH3CCH3]+ (g) 1058.1 1045.6 ± 1.9 kJ/mol 42.0792 ± 0.0024 121408-19-3*0 Iodine monochloride ICl (cr) -36.511 -35.537 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*510 Carbon monoxide CO (g, triplet) 465.579 469.286 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*1 Chlorodioxidenium [ClOO]+ (g) 1202.7 1200.4 ± 3.4 kJ/mol 67.4510 ± 0.0011 64710-10-7*0 Oxygen difluoride cation [FOF]+ (g) 1292.12 1289.59 ± 0.66 kJ/mol 53.99566 ± 0.00030 39432-25-2*0 Azide [NNN]- (aq) 272.63 ± 0.48 kJ/mol 42.02077 ± 0.00021 14343-69-2*800 Propane cation [CH3CH2CH3]+ (g) 974.6 954.7 ± 1.7 kJ/mol 44.0951 ± 0.0025 34479-70-4*0 Tetraoxygen O4 (g, C2h triplet) 104.4 102.4 ± 3.5 kJ/mol 63.9976 ± 0.0012 12596-83-7*11 Hydrogen peroxide H2O2 (cr,l) -193.171 -187.354 ± 0.079 kJ/mol 34.01468 ± 0.00062 7722-84-1*500 Cyclobutenylium [CH2(CHCHCH)]+ (g) 1036.9 1023.8 ± 3.4 kJ/mol 53.0820 ± 0.0032 12316-90-4*0 Difluorodioxidanium [FOOF]+ (g, trans) 1283.6 1279.1 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*1 Butyraldehyde CH3CH2CH2CHO (cr,l) -235.99 -239.51 ± 0.84 kJ/mol 72.1057 ± 0.0033 123-72-8*500 Oxadiazirine cation [O(NN)]+ (g) 1509.9 1507.2 ± 2.4 kJ/mol 44.01233 ± 0.00033 *227934-45-4*0 Oxygen difluoride anion [FOF]- (g) -202.0 -201.9 ± 2.7 kJ/mol 53.99675 ± 0.00030 *7783-41-7*0 Chlorine hydride oxide HCl(O)(O)O (g) 165.1 155.3 ± 2.5 kJ/mol 84.4588 ± 0.0013 1027055-52-2*0 Silicon carbide SiC (g) 735.6 740.6 ± 2.5 kJ/mol 40.09620 ± 0.00085 409-21-2*0 Silicon carbide SiC (cr, beta-cubic) -72.3 -73.3 ± 1.5 kJ/mol 40.09620 ± 0.00085 409-21-2*502 Quartz SiO2 (cr,l) -906.11 -911.09 ± 0.94 kJ/mol 60.08430 ± 0.00067 14808-60-7*500 Quartz SiO2 (vitr) -825.67 -901.59 ± 0.95 kJ/mol 60.08430 ± 0.00067 14808-60-7*520 Hydrogen chloride HCl (aq, 1000 H2O) -166.565 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*839 Quartz SiO2 (cr, beta-cristobalite) -903.41 -908.27 ± 0.98 kJ/mol 60.08430 ± 0.00067 14808-60-7*510 Nitrosyl nitrate ONONO2 (g, cis-perp) 60.4 52.5 ± 1.9 kJ/mol 92.0111 ± 0.0012 15969-55-8*2 Methylene CH2 (g) 391.060 391.617 ± 0.097 kJ/mol 14.02658 ± 0.00081 2465-56-7*0 Tetrabromomethane CBr4 (cr, monoclinic) 49.3 ± 1.4 kJ/mol 331.6267 ± 0.0041 558-13-4*500 Propionic acid CH3CH2C(O)OH (g) -436.41 -454.30 ± 0.60 kJ/mol 74.0785 ± 0.0025 79-09-4*0 Tetraiodomethane CI4 (cr, monoclinic) 392.5 ± 8.0 kJ/mol 519.62858 ± 0.00081 507-25-5*500 1-Hydroxyethyl CH3CHOH (g) -42.76 -56.19 ± 0.58 kJ/mol 45.0605 ± 0.0017 2348-46-1*0 Bromomethane CH3Br (l) -55.99 -59.01 ± 0.27 kJ/mol 94.9385 ± 0.0013 74-83-9*590 Acetic acid CH3C(O)OH (aq, 500 H2O) -484.89 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*833 Tetroxidane HOOOOH (g) -34.1 -44.6 ± 2.3 kJ/mol 66.0135 ± 0.0012 29683-94-1*0 Water H2O (g, para) -238.932 -241.835 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*2 1-Methylethenylium [CH3CCH2]+ (g) 995.2 986.0 ± 2.0 kJ/mol 41.0713 ± 0.0024 50457-57-3*0 Tetraoxodinitrate anion [O2NNO2]- (g) -184.6 -187.8 ± 2.4 kJ/mol 92.0116 ± 0.0012 63552-02-3*0 Trihydrogen (H)(HH) (g, vdW) 215.9 218.3 ± 1.1 kJ/mol 3.02382 ± 0.00021 12184-91-7*100 Acetic acid CH3C(O)OH (aq, 10000 H2O) -484.94 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*850 Oxygen atom octacation [O]+8 (g) 197447.75 197449.60 ± 0.12 kJ/mol 15.99501 ± 0.00030 21450-98-6*0 Dinitrogen dimer (N2)2 (g) -0.88 0.84 ± 0.67 kJ/mol 56.02696 ± 0.00028 154680-01-0*0 Ammonium hydroxide NH4OH (aq, undissoc) -366.716 ± 0.062 kJ/mol 35.04584 ± 0.00047 1336-21-6*1000 Cyclopropane cation [CH2(CH2CH2)]+ (g) 1022.3 1006.8 ± 1.6 kJ/mol 42.0792 ± 0.0024 34496-93-0*0 1-Propen-1-yl-3-ylidene CHCHCH (g, quartet) 656.6 653.2 ± 1.1 kJ/mol 39.0559 ± 0.0024 84654-90-0*1 Trioxirane cation [O(OO)]+ (g) 1444.5 1442.3 ± 2.2 kJ/mol 47.99765 ± 0.00090 *153851-84-4*0 mu-Oxodichlorine cation [ClOCl]+ (g) 1130.44 1126.83 ± 0.63 kJ/mol 86.9043 ± 0.0018 51174-96-0*0 Ethyl bromide CH3CH2Br (l) -55.56 -91.09 ± 0.26 kJ/mol 108.9651 ± 0.0019 74-96-4*500 Dihydrogen anion [H2]- (g) 253.8 254.7 ± 1.2 kJ/mol 2.01643 ± 0.00014 12184-89-3*0 Vinyl iodide CH2CHI (g) 139.5 130.7 ± 1.2 kJ/mol 153.9497 ± 0.0016 593-66-8*0 Hydrogen peroxide H2O2 (g, para) -129.479 -135.465 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*2 iso-Hexane CH3CH2CH2CH(CH3)2 (cr,l) -180.35 -204.01 ± 0.83 kJ/mol 86.1754 ± 0.0049 107-83-5*500 Chlorine trifluoride cation [FCl(F)F]+ (g) 1053.4 1049.1 ± 2.5 kJ/mol 92.44736 ± 0.00090 478167-77-0*0 Difluorovinylidene cation [CCF2]+ (g) 1181.6 1183.0 ± 2.3 kJ/mol 62.0177 ± 0.0016 268566-71-8*0 1-Methylethenyl anion [CH3CCH2]- (g) 199.4 188.2 ± 2.0 kJ/mol 41.0723 ± 0.0024 65887-19-6*0 Methyl acetate CH3C(O)OCH3 (g) -394.29 -413.16 ± 0.61 kJ/mol 74.0785 ± 0.0025 79-20-9*0 Oxygen atom heptacation [O]+7 (g) 113369.48 113371.34 ± 0.12 kJ/mol 15.99556 ± 0.00030 14274-89-6*0 2-Oxo-1-ethylium-1-yl [HCC(O)H]+ (g, syn-quartet) 1292.0 1288.6 ± 2.4 kJ/mol 42.0361 ± 0.0016 214464-96-7*12 Peroxyformate [HC(O)OO]- (g, anti) -320.8 -326.7 ± 1.8 kJ/mol 61.0174 ± 0.0012 104960-05-6*2 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g, anti) 49.5 42.5 ± 2.5 kJ/mol 84.4588 ± 0.0013 928652-99-7*2 Oxoethylidene anion [HCC(O)H]- (g, syn-gauche) 92.2 89.0 ± 2.3 kJ/mol 42.0372 ± 0.0016 106543-38-8*2 Polyoxymethylene CH2O (cr, polyoxymethylene) -170.88 ± 0.21 kJ/mol 30.02598 ± 0.00087 9002-81-7*500 Peroxyformyl HC(O)OO (g, anti) -90.6 -96.0 ± 1.8 kJ/mol 61.0168 ± 0.0012 56240-83-6*2 1,2-Propadien-1-ylium-1-yl-3-ylidene [CCC]+ (g) 1944.7 1952.6 ± 1.9 kJ/mol 36.0316 ± 0.0024 118090-85-0*0 Nitrogen atom N (g, quartet) 470.579 472.442 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*1 Chloro(chlorooxy)methylene ClCOCl (g, trans triplet) 101.1 104.7 ± 4.8 kJ/mol 98.9155 ± 0.0020 479587-31-0*12 Oxygen atom trication [O]+3 (g) 10249.929 10252.880 ± 0.018 kJ/mol 15.99775 ± 0.00030 14127-64-1*0 Dihydrogen cation [H2]+ (g, para) 1488.364 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*2 Carbon suboxide OCCCO (cr,l) -131.7 -116.6 ± 1.3 kJ/mol 68.0309 ± 0.0025 504-64-3*500 Formaldehyde CH2O (aq) -171.19 ± 0.59 kJ/mol 30.02598 ± 0.00087 50-00-0*800 Trioxygen difluoride FOOOF (g) 112.2 107.1 ± 1.1 kJ/mol 85.99501 ± 0.00090 16829-28-0*0 Isocyanogen cation [CNCN]+ (g) 1653.1 1655.4 ± 1.6 kJ/mol 52.0343 ± 0.0016 133415-63-1*0 m-Benzyne C6H4 (g, triplet) 614.5 605.1 ± 1.4 kJ/mol 76.0960 ± 0.0048 1828-89-3*1 Diisocyanogen cation [CNNC]+ (g, cis) 1838.1 1842.0 ± 3.1 kJ/mol 52.0343 ± 0.0016 *78800-21-2*2 Oxonium [H3O]+ (g, para) 605.85 599.10 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*2 Iodine monochloride ICl (l) -24.048 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*590 Tropylide [CH(CHCHCHCHCHCH)]- (g) 260.9 244.6 ± 2.0 kJ/mol 91.1310 ± 0.0056 34464-18-1*0 Difluorine cation [F2]+ (g) 1514.301 1514.475 ± 0.013 kJ/mol 37.9962578 ± 0.0000010 12184-86-0*0 Dihydrogen H2 (g, para) -0.000 -0.058 ± 0.000 kJ/mol 2.01588 ± 0.00014 1333-74-0*2 Fluorine atom F (g, 2P3/2) 77.262 79.047 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*1 Propylene cation [CH3CHCH2]+ (g) 975.18 961.65 ± 0.20 kJ/mol 42.0792 ± 0.0024 34504-10-4*0 Deuteride D- (g) 146.991 148.904 ± 0.0021 kJ/mol 2.01465035791 ± 0.00000000040 14452-69-8*0 Methyl formate HC(O)OCH3 (g) -346.88 -359.92 ± 0.84 kJ/mol 60.0520 ± 0.0017 107-31-3*0 Iodine I (g, 2P1/2) 198.109 197.709 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*2 Hydrazine monohydrate (NH2NH2)(H2O) (l) -242.66 ± 0.19 kJ/mol 50.06052 ± 0.00053 7803-57-8*500 Hydrogen peroxide cation [H2O2]+ (g, trans, ortho) 897.23 890.25 ± 0.51 kJ/mol 34.01413 ± 0.00062 12325-10-9*11 Acetylene anion [HCCH]- (g) 356.8 356.7 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*0 Difluorodioxidanium [FOOF]+ (g, cis) 1287.2 1283.0 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*2 1-Propenylium [CH3CHCH]+ (g, trans) 1233.8 1223.4 ± 2.0 kJ/mol 41.0713 ± 0.0024 50457-58-4*1 Ethyl formate HC(O)OCH2CH3 (g) -375.2 -393.9 ± 1.2 kJ/mol 74.0785 ± 0.0025 109-94-4*0 1,3-Butadiyn-4-ylium-1-yl [CCCC]+ (g) 2109.9 2120.5 ± 2.9 kJ/mol 48.0423 ± 0.0032 124708-46-9*0 Acetylene HCCH (g, cis-triplet) 599.0 598.9 ± 1.5 kJ/mol 26.0373 ± 0.0016 74-86-2*11 Trihydrogen cation [H3]+ (g, para) 1110.304 1106.697 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*2 1,3-Butadiynyl anion [CCCC]- (g) 677.7 686.8 ± 1.2 kJ/mol 48.0433 ± 0.0032 59158-53-1*0 1-Propenylide [CH3CHCH]- (g, trans) 210.5 199.4 ± 2.1 kJ/mol 41.0723 ± 0.0024 65887-20-9*1 Oxoniumyl ion [H2O]+ (g, ortho) 978.467 975.563 ± 0.028 kJ/mol 18.01473 ± 0.00033 56583-62-1*1 Bromodioxy BrOO (g) 118.2 109.1 ± 4.3 kJ/mol 111.9028 ± 0.0012 67177-47-3*0 2-Hydroxyethylium [CH2CH2OH]+ (g, gauche) 1024.5 1011.9 ± 2.0 kJ/mol 45.0600 ± 0.0017 38607-31-7*1 Hydroxyoxoammoniumyl [HONO]+ (g, cis) 1014.8 1008.4 ± 2.0 kJ/mol 47.01293 ± 0.00061 80371-48-8*2 sec-Butylium [CH3CH2CHCH3]+ (g) 792.9 769.3 ± 1.7 kJ/mol 57.1137 ± 0.0033 16548-59-7*0 Hydrogen fluoride HF (aq, 45 H2O) -321.15 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*906 Trioxodinitrate anion [ONN(O)O]- (g, non-vdW) -87.3 -93.1 ± 2.2 kJ/mol 76.01223 ± 0.00091 194856-62-7*1 Chlorine atom Cl (g, 2P3/2) 119.621 121.228 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*1 Tribromine cation [Br3]+ (g) 1035.9 1013.2 ± 2.6 kJ/mol 239.7115 ± 0.0030 33105-86-1*0 Hydroxymethylene HCOH (g) 112.67 108.91 ± 0.27 kJ/mol 30.02598 ± 0.00087 19710-56-6*0 Succinic acid (CH2C(O)OH)2 (cr,l) -918.55 -940.28 ± 0.13 kJ/mol 118.0880 ± 0.0034 110-15-6*500 Hydroxylamine NH2OH (g) -33.12 -43.49 ± 0.45 kJ/mol 33.02996 ± 0.00037 7803-49-8*0 1,2-Dibromoethane CH2BrCH2Br (cr,l) -80.2 ± 1.2 kJ/mol 187.8612 ± 0.0026 106-93-4*500 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-cis, syn) -43.2 -59.7 ± 2.3 kJ/mol 70.0898 ± 0.0032 59120-04-6*21 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-trans) -53.9 -69.1 ± 1.6 kJ/mol 70.0898 ± 0.0032 59120-04-6*1 Deuterium molecule cation [D2]+ (g) 1492.286 1492.361 ± 0.000 kJ/mol 4.02765497609 ± 0.00000000080 12184-84-8*0 Acrolein CH2CHCHO (g) -55.3 -65.4 ± 1.2 kJ/mol 56.0633 ± 0.0024 107-02-8*0 1,2-Propadien-1-one cation [CH2CCO]+ (g) 1012.6 1011.2 ± 1.9 kJ/mol 54.0468 ± 0.0024 87612-93-9*0 Nitrosyl nitrite anion [ONONO]- (g, t, c) -100.3 -103.5 ± 2.9 kJ/mol 76.01223 ± 0.00091 *122413-35-8*2 2-Propynal cation [CHCCHO]+ (g) 1168.3 1167.2 ± 1.6 kJ/mol 54.0468 ± 0.0024 100815-70-1*0 mu-Oxodichlorate anion [ClOCl]- (g) -147.8 -147.7 ± 2.5 kJ/mol 86.9053 ± 0.0018 365546-30-1*0 Acetoxy CH3C(O)O (g, 2A") -182.8 -191.6 ± 1.2 kJ/mol 59.0440 ± 0.0017 13799-69-4*1 Isocyanogen bromide anion [BrNC]- (g) 105.3 102.1 ± 4.6 kJ/mol 105.9220 ± 0.0013 *238754-53-5*0 Peroxyhypochlorous acid cation [HOOCl]+ (g, cis) 1050.8 1045.1 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*2 Diatomic bromine cation [Br2]+ (g) 1060.32 1045.37 ± 0.23 kJ/mol 159.8075 ± 0.0020 12595-71-0*0 Hydrogen peroxide cation [H2O2]+ (g, cis, para) 930.98 924.12 ± 0.98 kJ/mol 34.01413 ± 0.00062 12325-10-9*22 Nitrous acid anion [HONO]- (g, trans) -105.5 -109.4 ± 1.8 kJ/mol 47.01403 ± 0.00061 256393-36-9*1 Bicyclo[1.1.0]buta-1,3-dien-4-ylium-2-yl [C(CC)C]+ (g) 2087.4 2097.2 ± 2.7 kJ/mol 48.0423 ± 0.0032 289679-91-0*0 Tribromide [Br3]- (aq) -129.23 ± 0.26 kJ/mol 239.7125 ± 0.0030 14522-80-6*800 2-Chloro ozone ClO(O)O (g) 265.9 265.3 ± 3.7 kJ/mol 83.4509 ± 0.0013 *141801-66-3*0 Cyanoacetylene cation [HCCCN]+ (g) 1495.33 1497.63 ± 0.64 kJ/mol 51.0462 ± 0.0024 85398-68-1*0 Isocyanoacetylene cation [HCCNC]+ (g) 1567.5 1570.1 ± 1.3 kJ/mol 51.0462 ± 0.0024 145076-03-5*0 Hydrazoic acid anion [HNNN]- (g, cis) 316.2 310.0 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*2 Cyanoethynylium [CCCN]+ (g) 1867.6 1874.3 ± 3.2 kJ/mol 50.0383 ± 0.0024 104233-69-4*0 Water H2O (cr) -286.302 -292.742 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*510 Hydrazoic acid HNNN (aq, undissoc) 257.64 ± 0.48 kJ/mol 43.02816 ± 0.00022 7782-79-8*1000 Acetoxy CH3C(O)O (g) -182.8 -191.5 ± 1.2 kJ/mol 59.0440 ± 0.0017 13799-69-4*0 Hydrazoic acid HNNN (aq) 272.63 ± 0.48 kJ/mol 43.02816 ± 0.00022 7782-79-8*800 Bicyclo[1.1.0]buta-1,3-dien-2-yl anion [C(CC)C]- (g) 803.7 811.3 ± 2.1 kJ/mol 48.0433 ± 0.0032 289679-89-6*0 3-Imino-2-propen-1-ylidene CHCHCNH (g, singlet) 530.6 526.3 ± 1.2 kJ/mol 53.0627 ± 0.0024 916765-05-4*1 2-(Methylidyneamino)ethenyl CHCHNCH (g, singlet) 600.6 596.3 ± 1.2 kJ/mol 53.0627 ± 0.0024 123416-74-0*1 Oxygen atom dication [O]+2 (g) 4949.459 4953.000 ± 0.013 kJ/mol 15.99830 ± 0.00030 14127-63-0*0 Oxygen atom tetracation [O]+4 (g) 17719.207 17721.064 ± 0.025 kJ/mol 15.99721 ± 0.00030 14127-65-2*0 Water trimer (H2O)3 (g) -762.73 -776.83 ± 0.21 kJ/mol 54.04584 ± 0.00099 31014-12-7*0 Peroxyhypochlorous acid anion [HOOCl]- (g, trans quartet) -2.9 -3.3 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*1 Carbon monoxide CO (g, singlet) -113.803 -110.523 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*2 Hydrogen iodide HI (aq) -56.824 ± 0.090 kJ/mol 127.912410 ± 0.000076 10034-85-2*800 Dioxaziridine HN(OO) (g) 277.5 270.8 ± 1.9 kJ/mol 47.01348 ± 0.00061 67394-35-8*0 Tetraoxygen O4 (g, D2h singlet) 69.8 65.1 ± 4.4 kJ/mol 63.9976 ± 0.0012 12596-83-7*21 Hydroxylamine NH2OH (cr,l) -107.51 ± 0.62 kJ/mol 33.02996 ± 0.00037 7803-49-8*500 Tetraoxygen O4 (g, D2d singlet) 399.0 393.2 ± 3.9 kJ/mol 63.9976 ± 0.0012 12596-83-7*23 Tetraoxygen O4 (g, D3h singlet) 465.6 459.6 ± 4.2 kJ/mol 63.9976 ± 0.0012 12596-83-7*24 Dioxofluorine cation [OFO]+ (g) 1667.0 1664.8 ± 2.8 kJ/mol 50.99665 ± 0.00060 223566-05-0*0 Methylaminyliumyl [CH3N]+ (g, doublet ?) 1388.3 1381.9 ± 2.3 kJ/mol 29.04071 ± 0.00083 56924-51-7*1 Acetaldehyde CH3CHO (cr,l) -187.06 -191.78 ± 0.31 kJ/mol 44.0526 ± 0.0017 75-07-0*500 Ethynylene C2 (g, singlet) 820.33 826.90 ± 0.26 kJ/mol 24.0214 ± 0.0016 12070-15-4*2 Oxygen atom pentacation [O]+5 (g) 28708.788 28710.646 ± 0.053 kJ/mol 15.99666 ± 0.00030 14127-66-3*0 Formylimidogen HC(O)N (g, singlet) 245.3 242.1 ± 3.3 kJ/mol 43.02478 ± 0.00086 42288-92-6*2 Disilicon Si2 (g) 581.4 585.3 ± 1.6 kJ/mol 56.17100 ± 0.00060 12597-35-2*0 Cyclopentadiene CH2(CHCHCHCH) (l) 109.89 ± 0.57 kJ/mol 66.1011 ± 0.0040 542-92-7*590 Fluorosyl fluoride FFO (g, singlet) 227. 225. ± 21. kJ/mol 53.99621 ± 0.00030 86825-57-2*2 Trihydrogen H(HH) (g, 2s 2A1' Ry) 745.878 743.094 ± 0.062 kJ/mol 3.02382 ± 0.00021 12184-91-7*1 Dioxofluorine anion [OFO]- (g) 155.9 154.3 ± 2.5 kJ/mol 50.99775 ± 0.00060 *175861-93-5*0 2-Propen-1-ylium-1-ylidene [CH2CHC]+ (g) 1373.1 1369.5 ± 2.0 kJ/mol 39.0554 ± 0.0024 88000-25-3*0 Quartz SiO2 (g) -320.4 -321.7 ± 2.4 kJ/mol 60.08430 ± 0.00067 14808-60-7*0 Formylimidogen HC(O)N (g, triplet) 245.2 242.1 ± 4.6 kJ/mol 43.02478 ± 0.00086 42288-92-6*1 Dinitrogen anion [N2]- (g) 192.5 192.5 ± 1.7 kJ/mol 28.01403 ± 0.00014 12185-02-3*0 Peroxyformyl HC(O)OO (g) -100.58 -105.69 ± 0.92 kJ/mol 61.0168 ± 0.0012 56240-83-6*0 Methanediol CH2(OH)2 (g) -379.41 -392.81 ± 0.92 kJ/mol 48.0413 ± 0.0010 463-57-0*0 2-Hydroxyethyl CH2CH2OH (g) -13.35 -26.62 ± 0.56 kJ/mol 45.0605 ± 0.0017 4422-54-2*0 Peroxyformate [HC(O)OO]- (g) -341.14 -346.59 ± 0.95 kJ/mol 61.0174 ± 0.0012 104960-05-6*0 Diiodine cation [I2]+ (g) 963.523 960.408 ± 0.018 kJ/mol 253.808391 ± 0.000060 28712-14-3*0 Isocyanomethane CH3NC (cr,l) 146.1 ± 2.2 kJ/mol 41.0520 ± 0.0016 593-75-9*500 Trihydrogen H(HH) (g, TS) 477.4 474.7 ± 2.3 kJ/mol 3.02382 ± 0.00021 12184-91-7*201 Cyanogen NCCN (cr,l) 273.93 289.18 ± 0.42 kJ/mol 52.0349 ± 0.0016 460-19-5*500 Methane anion [CH4]- (g) 27.3 19.4 ± 5.1 kJ/mol 16.04301 ± 0.00085 27680-53-1*0 Fluorosyl fluoride cation [FFO]+ (g) 1413.0 1413.4 ± 3.5 kJ/mol 53.99566 ± 0.00030 *86825-50-5*0 Cyclopropylidene C(CH2CH2) (g) 474.89 466.87 ± 0.85 kJ/mol 40.0639 ± 0.0024 2143-70-6*0 Fluoromethane cation [CH3F]+ (g) 981.81 974.31 ± 0.62 kJ/mol 34.03237 ± 0.00083 59122-96-2*0 Isocyanogen anion [CNCN]- (g) 385.5 387.6 ± 3.4 kJ/mol 52.0354 ± 0.0016 *83951-85-3*0 O--HH Complex (H2)(O) (g, vdW C2v ?) 247.2 248.2 ± 2.0 kJ/mol 18.01528 ± 0.00033 *7732-18-5*102 Ethynol cation [HCCOH]+ (g) 1063.8 1061.2 ± 2.9 kJ/mol 42.0361 ± 0.0016 84005-02-7*0 Oxonium [H3O]+ (g, ortho) 605.91 599.10 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*1 Diazene anion [HNNH]- (g, trans-cis-iso equilib) 265.5 258.7 ± 2.0 kJ/mol 30.02991 ± 0.00020 100429-75-2*0 Ethynol anion [HCCOH]- (g) 163.5 165.0 ± 3.3 kJ/mol 42.0372 ± 0.0016 864971-50-6*0 Diisocyanogen anion [CNNC]- (g) 456.3 461.9 ± 3.7 kJ/mol 52.0354 ± 0.0016 *78800-22-3*0 Water H2O (cr, l, eq.press.) -286.303 -285.831 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*499 Diisocyanogen cation [CNNC]+ (g) 1824.8 1827.9 ± 3.3 kJ/mol 52.0343 ± 0.0016 *78800-21-2*0 Diazene HNNH (g, trans-cis equilib) 207.09 199.95 ± 0.41 kJ/mol 30.02936 ± 0.00020 3618-05-1*1 Iminomethyl anion [HCNH]- (g) 237.3 233.6 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*0 Trioxidaniumyl [HOOOH]+ (g) 925.5 916.6 ± 1.5 kJ/mol 50.01353 ± 0.00091 161321-37-5*0 Ethynol HCCOH (g) 95.29 92.81 ± 0.80 kJ/mol 42.0367 ± 0.0016 32038-79-2*0 Peroxychlorous acid HOOClO (g) 96.2 90.6 ± 2.1 kJ/mol 84.4588 ± 0.0013 177778-92-6*0 2-Cyclopropyn-1-ylidene C(CC) (g) 898.9 905.8 ± 1.6 kJ/mol 36.0321 ± 0.0024 102508-15-6*0 Diazoethenylidene cation [NNCC]+ (g) 1771.2 1773.2 ± 3.5 kJ/mol 52.0343 ± 0.0016 *130760-10-0*0 Cyclopentadienide [CH(CHCHCHCH)]- (g) 100.1 87.1 ± 1.1 kJ/mol 65.0937 ± 0.0040 12127-83-2*0 Diazoethenylidene anion [NNCC]- (g) 529.7 532.3 ± 3.5 kJ/mol 52.0354 ± 0.0016 *130760-11-1*0 Cyanomethylium [CH2CN]+ (g) 1256.77 1254.13 ± 0.74 kJ/mol 40.0435 ± 0.0016 34430-18-7*0 3H-diazirin-3-ylidene-methylene CC(NN) (g) 837.3 839.9 ± 2.3 kJ/mol 52.0349 ± 0.0016 204253-88-3*0 1-Methoxyethenol CH2C(OH)OCH3 (g) -284.9 -303.4 ± 1.7 kJ/mol 74.0785 ± 0.0025 4453-91-2*0 trans-Cycloheptene CH2(CHCHCH2CH2CH2CH2 (g) 141.6 103.5 ± 1.9 kJ/mol 96.1702 ± 0.0057 45509-99-7*0 Propylidene anion [CH3CH2CH]- (g) 300.8 286.6 ± 3.2 kJ/mol 42.0803 ± 0.0024 *121408-55-7*0 Hydrazine anion [NH2NH2]- (g) 232.2 217.8 ± 4.1 kJ/mol 32.04579 ± 0.00031 65391-88-0*0 Oxiranylium [CH2(CHO)]+ (g) 901.1 893.2 ± 1.5 kJ/mol 43.0441 ± 0.0016 57789-76-1*0 Diazene anion [HNNH]- (g, trans-cis equilib) 265.5 258.7 ± 2.0 kJ/mol 30.02991 ± 0.00020 100429-75-2*1 Isocyanogen chloride cation [ClNC]+ (g) 1480.8 1482.1 ± 3.9 kJ/mol 61.4696 ± 0.0012 956475-91-5*0 Ethynol HCCOH (g, t-c triplet) 406.4 403.2 ± 3.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*12 Oxiranyl anion [CH2(CHO)]- (g) 121.2 113.3 ± 1.5 kJ/mol 43.0452 ± 0.0016 72722-59-9*0 Difluorodioxidane anion [FOOF]- (g) -251. -251. ± 28. kJ/mol 69.99615 ± 0.00060 *7783-45-1*0 Ethynol HCCOH (g, t-t triplet) 409.4 406.3 ± 3.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*13 Nitrogen atom N (g, doublet) 700.555 702.458 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*2 Water H2O (cr, eq.press.) -286.303 -292.744 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*509 Formic acid cation [HC(O)OH]+ (g) 721.87 715.34 ± 0.26 kJ/mol 46.0248 ± 0.0010 50614-05-6*0 Phenol cation [C6H5OH]+ (g) 746.05 727.25 ± 0.64 kJ/mol 94.1107 ± 0.0048 40932-22-7*0 Phenol anion [C6H5OH]- (g) 22.7 7.7 ± 4.9 kJ/mol 94.1118 ± 0.0048 38752-11-3*0 Ethynol HCCOH (g, c-t triplet) 455.5 452.2 ± 3.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*14 Formic acid anion [HC(O)OH]- (g) -256.2 -262.3 ± 1.8 kJ/mol 46.0259 ± 0.0010 19066-82-1*0 Nitrogen atom anion N- (g) 487.6 489.9 ± 2.5 kJ/mol 14.007289 ± 0.000070 17778-87-9*0 Fluoromethane CH3F (l) -245.75 ± 0.45 kJ/mol 34.03292 ± 0.00083 593-53-3*590 Cyanic fluoride cation [FCN]+ (g) 1294.4 1294.9 ± 1.1 kJ/mol 45.01529 ± 0.00080 62532-69-8*0 Nitrato [ON(O)O]+ (g) 1290.61 1285.90 ± 0.86 kJ/mol 62.00439 ± 0.00090 133057-96-2*0 Benzaldehyde cation [C6H5C(O)H]+ (g) 896.8 880.1 ± 1.9 kJ/mol 106.1214 ± 0.0056 80226-59-1*0 Benzaldehyde anion [C6H5C(O)H]- (g) -60.2 -77.8 ± 1.2 kJ/mol 106.1225 ± 0.0056 34473-57-9*0 1-Propen-1-yl-3-ylidene CHCHCH (g) 656.6 653.2 ± 1.1 kJ/mol 39.0559 ± 0.0024 84654-90-0*0 2-Propenylidene CHCHCH2 (g, triplet) 417.4 410.5 ± 1.5 kJ/mol 40.0639 ± 0.0024 19527-08-3*1 Ethynol HCCOH (g, c-c triplet) 464.1 460.9 ± 3.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*15 C=O-C cation [COC]+ (g) 1585.8 1592.9 ± 2.7 kJ/mol 40.0203 ± 0.0016 83483-98-1*0 Hydrogen peroxide H2O2 (aq) -190.76 ± 0.30 kJ/mol 34.01468 ± 0.00062 7722-84-1*800 Bromine atom Br (g, 2P1/2) 162.001 155.939 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*2 Nitrosyl nitrate ONONO2 (g) 48.3 40.4 ± 1.8 kJ/mol 92.0111 ± 0.0012 15969-55-8*0 Tetraoxidanyl HOOOO (g) 2.0 0.2 ± 3.0 kJ/mol 65.0055 ± 0.0012 69696-93-1*0 2-Propenylidene CHCHCH2 (g) 417.4 410.5 ± 1.5 kJ/mol 40.0639 ± 0.0024 19527-08-3*0 Chloromethane CH3Cl (l) -106.11 -102.15 ± 0.25 kJ/mol 50.4872 ± 0.0012 74-87-3*590 Hydroperoxonium [H2OOH]+ (g) 738.1 727.8 ± 1.2 kJ/mol 35.02207 ± 0.00064 70850-26-9*0 Cyanic fluoride anion [FCN]- (g) -20.4 -18.4 ± 2.9 kJ/mol 45.01639 ± 0.00080 34507-50-1*0 Methyl bromide cation [CH3Br]+ (g) 996.84 981.93 ± 0.27 kJ/mol 94.9380 ± 0.0013 12538-70-4*0 1-Propen-1-yl-3-ylidene CHCHCH (g, c-t quartet) 656.6 653.1 ± 2.0 kJ/mol 39.0559 ± 0.0024 84654-90-0*12 Oxoniumyl ion [H2O]+ (g, para) 978.716 975.565 ± 0.028 kJ/mol 18.01473 ± 0.00033 56583-62-1*2 Trihydrogen cation [H3]+ (g, ortho) 1110.577 1106.695 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*1 Hydroperoxonium [H2OOH]+ (g, cis) 762.5 752.7 ± 2.0 kJ/mol 35.02207 ± 0.00064 70850-26-9*2 Water anion [H2O]- (g) -50.1 -53.0 ± 4.3 kJ/mol 18.01583 ± 0.00033 12259-30-2*0 Aminomethylidyne anion [CNH2]- (g, triplet) 481.6 478.0 ± 3.2 kJ/mol 28.03387 ± 0.00082 96808-04-7*1 Dioxohydrazine ONNO (g, trans) 192.2 188.7 ± 1.8 kJ/mol 60.01228 ± 0.00062 16824-89-8*1 1-Propen-1-yl-3-ylidene CHCHCH (g, t-t quartet) 665.7 662.2 ± 2.0 kJ/mol 39.0559 ± 0.0024 84654-90-0*13 Hydrogen peroxide cation [H2O2]+ (g, trans, para) 897.25 890.25 ± 0.51 kJ/mol 34.01413 ± 0.00062 12325-10-9*12 Nitrogen sesquioxide cation [ONN(O)O]+ (g, vdW) 1027.6 1023.7 ± 4.8 kJ/mol 76.01113 ± 0.00091 *10544-73-7*0 Hydrogen isocyanide anion [HNC]- (g) 191.50 191.68 ± 0.33 kJ/mol 27.02593 ± 0.00081 96913-22-3*0 1-Propen-1-yl-3-ylidene CHCHCH (g, doublet) 699.2 696.3 ± 3.4 kJ/mol 39.0559 ± 0.0024 84654-90-0*2 Ethylidene CH3CH (g) 361.20 354.22 ± 0.51 kJ/mol 28.0532 ± 0.0016 4218-50-2*0 Hydroxyformyl HOCO (g) -181.13 -183.67 ± 0.44 kJ/mol 45.0174 ± 0.0010 2564-86-5*0 Iodine monochloride ICl (cr,l) -36.511 -35.537 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*500 Acetone enol CH3C(OH)CH2 (g) -152.0 -168.9 ± 1.1 kJ/mol 58.0791 ± 0.0025 29456-04-0*0 Diazenide [NNH]- (g) 175.6 176.7 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*0 Peroxyhypochlorous acid cation [HOOCl]+ (g) 1030.3 1024.5 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*0 Dinitrogen tetraoxide O2NNO2 (cr,l) -37.86 -27.01 ± 0.19 kJ/mol 92.0111 ± 0.0012 10544-72-6*500 Hydroxyformyl anion [HOCO]- (g) -319.52 -321.38 ± 0.58 kJ/mol 45.0180 ± 0.0010 78944-70-4*0 Methyl iodide cation [CH3I]+ (g) 944.80 935.40 ± 0.18 kJ/mol 141.93844 ± 0.00083 12538-72-6*0 Isocyanogen chloride anion [ClNC]- (g) 102.8 107.2 ± 3.9 kJ/mol 61.4707 ± 0.0012 923019-39-0*0 Fluorine atom F (g, 2P1/2) 82.096 83.881 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*2 2-Hydroxyethenyl CHCHOH (g) 138.01 132.19 ± 0.92 kJ/mol 43.0446 ± 0.0016 108665-16-3*0 Nitrosodioxaziridine ONN(OO) (g, gauche) 415.3 409.5 ± 2.8 kJ/mol 76.01168 ± 0.00091 132871-99-9*3 Methyl nitrite CH3ONO (g, trans) -52.56 -64.52 ± 0.90 kJ/mol 61.0401 ± 0.0010 624-91-9*1 Methyl nitrite CH3ONO (cr,l) -88.91 ± 0.56 kJ/mol 61.0401 ± 0.0010 624-91-9*500 1,2-Dibromoethene CHBrCHBr (g) 121.1 100.9 ± 2.1 kJ/mol 185.8453 ± 0.0026 540-49-8*0 Fluoroform CHF3 (l) -704.45 ± 0.43 kJ/mol 70.01385 ± 0.00080 75-46-7*590 Chlorine atom Cl (g, 2P1/2) 130.176 131.783 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*2 Vinyl alcohol cation [CH2CHOH]+ (g) 778.7 767.7 ± 1.3 kJ/mol 44.0520 ± 0.0017 57239-63-1*0 Trihydrogen H(HH) (g, Ry) 745.878 743.199 ± 0.062 kJ/mol 3.02382 ± 0.00021 12184-91-7*0 2,2,4-Trimethylpentane (CH3)2CHCH2C(CH3)3 (g) -171.3 -223.7 ± 1.5 kJ/mol 114.2285 ± 0.0065 540-84-1*0 Dioxoethylium [OCHCO]+ (g) 688.1 689.4 ± 3.1 kJ/mol 57.0276 ± 0.0017 *1994332-01-2*0 Dichlorovinylidene CCCl2 (g) 421.6 424.9 ± 3.0 kJ/mol 94.9268 ± 0.0024 20394-25-6*0 Dioxohydrazine ONNO (g) 172.89 171.13 ± 0.14 kJ/mol 60.01228 ± 0.00062 16824-89-8*0 Hydroperoxyimidogen HOON (g, cis) 111.8 108.9 ± 2.8 kJ/mol 47.01348 ± 0.00061 877456-58-1*2 Chlorovinylidene CCHCl (g) 428.0 429.7 ± 3.0 kJ/mol 60.4820 ± 0.0018 70277-82-6*0 Carbonylmethyloxonium [CH3OCO]+ (g) 561.4 553.2 ± 3.2 kJ/mol 59.0435 ± 0.0017 24434-00-2*0 Carbon atom C (diamond) 2.391 1.863 ± 0.044 kJ/mol 12.01070 ± 0.00080 7440-44-0*501 Perchloric acid cation [HOCl(O)(O)O]+ (g) 1191.8 1182.2 ± 3.5 kJ/mol 100.4577 ± 0.0015 91712-47-9*0 Trioxodinitrate anion [ONN(O)O]- (g) -104.3 -107.5 ± 1.9 kJ/mol 76.01223 ± 0.00091 194856-62-7*0 Hydroxymethylene cation [HCOH]+ (g) 971.9 968.3 ± 1.4 kJ/mol 30.02543 ± 0.00087 135395-06-1*0 1,2-Difluoroethene CHFCHF (g) -302.90 -308.99 ± 0.90 kJ/mol 64.0341 ± 0.0016 1691-13-0*0 Water H2O (g, ortho) -238.647 -241.835 ± 0.026 kJ/mol 18.01528 ± 0.00033 7732-18-5*1 1,1-Dibromoethane CH3CHBr2 (cr,l) -67.2 ± 1.3 kJ/mol 187.8612 ± 0.0026 557-91-5*500 Dichloromethylene CCl2 (g) 229.51 230.69 ± 0.64 kJ/mol 82.9161 ± 0.0020 1605-72-7*0 Nitrosodioxaziridine ONN(OO) (g) 413.6 408.2 ± 1.8 kJ/mol 76.01168 ± 0.00091 132871-99-9*0 Methoxyoxomethyl CH3OCO (g) -152.5 -160.2 ± 1.5 kJ/mol 59.0440 ± 0.0017 16481-04-2*0 Oxiranylidene CH2(CO) (g) 213.5 209.2 ± 1.4 kJ/mol 42.0367 ± 0.0016 50983-85-2*0 Ethenol CH2CHOH (g) -113.12 -123.51 ± 0.52 kJ/mol 44.0526 ± 0.0017 557-75-5*0 Ethanedial anion [OCHCO]- (g) -189.2 -190.8 ± 3.3 kJ/mol 57.0287 ± 0.0017 1994332-01-2*0 Imidogen NH (g, triplet) 358.74 358.78 ± 0.16 kJ/mol 15.014680 ± 0.000099 13774-92-0*1 Difluorovinylidene anion [CCF2]- (g) -88.2 -87.1 ± 2.3 kJ/mol 62.0188 ± 0.0016 107693-92-5*0 Carbon atom C (g, quintuplet) 1114.960 1120.106 ± 0.047 kJ/mol 12.01070 ± 0.00080 7440-44-0*3 Dibromovinylidene CCBr2 (g) 510.9 499.8 ± 4.1 kJ/mol 183.8294 ± 0.0026 261771-36-2*0 Fluorovinylidene CCHF (g) 298.9 300.1 ± 3.1 kJ/mol 44.0277 ± 0.0016 70302-00-0*0 Isocyanic fluoride anion [FNC]- (g) 74.3 75.9 ± 5.7 kJ/mol 45.01639 ± 0.00080 357426-78-9*0 Krypton dication [Kr]+2 (g) 3701.124 3701.124 ± 0.013 kJ/mol 83.7989 ± 0.1000 18469-91-5*0 1,2-Propadien-1-yl-3-ylidene anion [CCC]- (g, lin) 622.0 629.4 ± 1.3 kJ/mol 36.0326 ± 0.0024 109292-47-9*1 Xenon dication [Xe]+2 (g) 3194.14 3194.14 ± 0.36 kJ/mol 131.2889 ± 0.0200 14066-95-6*0 Methoxyoxomethyl CH3OCO (g, syn-staggered) -151.8 -160.8 ± 2.2 kJ/mol 59.0440 ± 0.0017 16481-04-2*2 Diazanide [NH2NH]- (g) 249.3 239.2 ± 3.1 kJ/mol 31.03785 ± 0.00025 25415-88-7*0 Cyanogen bromide cation [BrCN]+ (g) 1331.6 1325.2 ± 1.1 kJ/mol 105.9209 ± 0.0013 34749-77-4*0 3-Buten-2-one CH3C(O)CHCH2 (g) -95.57 -111.11 ± 0.87 kJ/mol 70.0898 ± 0.0032 78-94-4*0 Dioxymethylene HCOO (g) 341.8 339.8 ± 3.0 kJ/mol 45.0174 ± 0.0010 438586-67-5*0 3-Buten-2-one CH3C(O)CHCH2 (g, cis) -94.0 -110.0 ± 1.6 kJ/mol 70.0898 ± 0.0032 78-94-4*2 Dicarbon monoxide CCO (g) 377.12 381.16 ± 0.83 kJ/mol 40.0208 ± 0.0016 12071-23-7*0 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-trans, anti) -48.5 -64.8 ± 2.3 kJ/mol 70.0898 ± 0.0032 59120-04-6*12 Hydroxyoxoethenylium [HOCCO]+ (g) 866.2 864.9 ± 3.5 kJ/mol 57.0276 ± 0.0017 *1994332-00-1*0 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-cis, anti) -38.4 -54.7 ± 2.3 kJ/mol 70.0898 ± 0.0032 59120-04-6*22 Ethynediolide [HOCCO]- (g) -133.2 -134.3 ± 3.5 kJ/mol 57.0287 ± 0.0017 1994332-00-1*0 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-cis) -43.2 -59.2 ± 2.3 kJ/mol 70.0898 ± 0.0032 59120-04-6*2 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g) -53.9 -68.8 ± 1.6 kJ/mol 70.0898 ± 0.0032 59120-04-6*0 Cyanogen chloride cation [ClCN]+ (g) 1326.05 1327.38 ± 0.97 kJ/mol 61.4696 ± 0.0012 37612-72-9*0 Methoxyoxomethyl CH3OCO (g, anti-eclipsed) -151.6 -159.7 ± 2.2 kJ/mol 59.0440 ± 0.0017 16481-04-2*3 2-Hydroxyethylium [CH2CH2OH]+ (g) 1019.1 1007.0 ± 1.5 kJ/mol 45.0600 ± 0.0017 38607-31-7*0 Bromovinylidene CCHBr (g) 466.6 460.5 ± 3.8 kJ/mol 104.9333 ± 0.0019 161957-27-3*0 Water dimer cation [(H2O)2]+ (g) 556.8 546.4 ± 3.0 kJ/mol 36.03001 ± 0.00066 158061-35-9*0 Hydroxymethylene anion [HCOH]- (g) 147.1 144.2 ± 1.6 kJ/mol 30.02653 ± 0.00087 207914-87-2*0 Trioxygen difluoride FOOOF (g, cis) 113.4 107.6 ± 2.1 kJ/mol 85.99501 ± 0.00090 16829-28-0*2 1,2-Propadien-1-one anion [CH2CCO]- (g) 49.5 48.3 ± 3.1 kJ/mol 54.0479 ± 0.0024 159171-62-7*0 Difluorophosgene anion [CF2O]- (g) -602.3 -604.2 ± 3.3 kJ/mol 66.00745 ± 0.00085 474815-26-4*0 1,2-Dichloroethene CHClCHCl (g) 3.47 -1.85 ± 0.54 kJ/mol 96.9427 ± 0.0024 540-59-0*0 Isocyanogen bromide cation [BrNC]+ (g) 1470.2 1464.5 ± 5.9 kJ/mol 105.9209 ± 0.0013 238754-53-5*0 2-Cyclopropen-1-one cation [OC(CHCH)]+ (g) 1078.6 1075.5 ± 2.0 kJ/mol 54.0468 ± 0.0024 100815-68-7*0 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g) 49.1 42.3 ± 1.9 kJ/mol 84.4588 ± 0.0013 928652-99-7*0 Oxirene O(CHCH) (g) 273.18 271.02 ± 0.92 kJ/mol 42.0367 ± 0.0016 157-18-6*0 Cyclopropane CH2(CH2CH2) (l) 41.41 35.72 ± 0.53 kJ/mol 42.0797 ± 0.0024 75-19-4*500 Cyanogen chloride anion [ClCN]- (g) 46.7 51.0 ± 3.1 kJ/mol 61.4707 ± 0.0012 12281-43-5*0 Fluoro(fluorooxy)methylene FCOF (g) -134.8 -136.0 ± 1.3 kJ/mol 66.00691 ± 0.00085 479587-30-9*0 Isourea NHC(OH)NH2 (g) -156.2 -172.8 ± 2.6 kJ/mol 60.05534 ± 0.00091 4744-36-9*0 Bromoform CHBr3 (l) 3.5 ± 1.3 kJ/mol 252.7306 ± 0.0031 75-25-2*590 mu-Oxodioxodinitrogen [ONONO]+ (g, t, t) 984.0 981.0 ± 3.2 kJ/mol 76.01113 ± 0.00091 87950-63-8*1 Carbamoyl anion [NH2CO]- (g) -81.7 -87.6 ± 3.1 kJ/mol 44.03327 ± 0.00087 78944-69-1*0 Fluorosyl fluoride FFO (g) 192.6 193.1 ± 2.3 kJ/mol 53.99621 ± 0.00030 86825-57-2*0 Fluorosyl fluoride anion [FFO]- (g) -147.2 -146.9 ± 3.0 kJ/mol 53.99675 ± 0.00030 *86825-57-2*0 Acetyloxoniumylidene [CH3C(O)O]+ (g, triplet) 891.7 883.2 ± 3.0 kJ/mol 59.0435 ± 0.0017 67057-47-0*1 Chloromethylene CHCl (g) 320.27 320.55 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*0 Nitrosyl nitrite anion [ONONO]- (g) -103.1 -106.2 ± 2.8 kJ/mol 76.01223 ± 0.00091 *122413-35-8*0 Peroxychlorous acid HOOClO (g, perp ?) 102.3 96.2 ± 3.7 kJ/mol 84.4588 ± 0.0013 177778-92-6*3 Formaldoxime CH2NOH (g) 30.7 20.1 ± 1.4 kJ/mol 45.04066 ± 0.00088 75-17-2*0 Difluoromethane CH2F2 (l) -468.73 ± 0.36 kJ/mol 52.02339 ± 0.00081 75-10-5*590 Methoxyethene CH2CHOCH3 (g) -89.2 -106.5 ± 1.1 kJ/mol 58.0791 ± 0.0025 107-25-5*0 Isocyanic fluoride cation [FNC]+ (g) 1618.4 1619.0 ± 4.0 kJ/mol 45.01529 ± 0.00080 *16992-26-0*0 Hydrogen peroxide cation [H2O2]+ (g, cis, ortho) 931.01 924.12 ± 0.98 kJ/mol 34.01413 ± 0.00062 12325-10-9*21 Phosgene cation [CCl2O]+ (g) 897.1 896.0 ± 1.7 kJ/mol 98.9150 ± 0.0020 73249-38-4*0 Methoxyethene CH2CHOCH3 (g, trans) -81.8 -98.9 ± 2.4 kJ/mol 58.0791 ± 0.0025 107-25-5*1 Phosgene CCl2O (cr, l, I+liquid) -242.74 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*501 Phosgene CCl2O (cr, l, II+liquid) -255.44 -242.74 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*502 Hydrazoic acid anion [HNNN]- (g) 309.0 303.2 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*0 Hydrazoic acid HNNN (cr,l) 261.49 ± 0.65 kJ/mol 43.02816 ± 0.00022 7782-79-8*500 Methylaminyliumyl [CH3N]+ (g, quartet) 1423.0 1416.1 ± 2.3 kJ/mol 29.04071 ± 0.00083 56924-51-7*2 Diazene cation [HNNH]+ (g, trans-iso-cis equilib) 1132.46 1125.80 ± 0.64 kJ/mol 30.02881 ± 0.00020 76986-17-9*0 Chloro(chlorooxy)methylene ClCOCl (g) 73.5 73.9 ± 3.6 kJ/mol 98.9155 ± 0.0020 479587-31-0*0 Oxide [O]-2 (g) 651. 653. ± 15. kJ/mol 16.00050 ± 0.00030 16833-27-5*0 Hydrogen peroxide H2O2 (g, ortho) -129.459 -135.465 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*1 Chlorous acid cation [HOClO]+ (g) 996.6 991.5 ± 3.1 kJ/mol 68.4589 ± 0.0011 *99559-66-7*0 Oxonium [H3O]+ (aq) -285.830 ± 0.026 kJ/mol 19.02267 ± 0.00037 13968-08-6*800 Chloro(chlorooxy)methylene ClCOCl (g, trans) 98. 105. ± 15. kJ/mol 98.9155 ± 0.0020 479587-31-0*1 Chlorine chlorite ClOClO (g) 168.6 166.4 ± 1.3 kJ/mol 102.9042 ± 0.0019 105206-44-8*0 Diazene cation [HNNH]+ (g, trans-cis equilib) 1132.46 1125.52 ± 0.64 kJ/mol 30.02881 ± 0.00020 76986-17-9*1 Chlorohydroxymethyl CH(Cl)OH (g) -54.8 -60.5 ± 1.1 kJ/mol 65.4787 ± 0.0012 147139-06-8*0 1-Cyanoethylidene CH3CCN (g) 437.5 433.7 ± 1.5 kJ/mol 53.0627 ± 0.0024 498544-34-6*0 Hydrobromate ion [HBr]- (g) -5.6 -12.1 ± 4.3 kJ/mol 80.9125 ± 0.0010 85532-97-4*0 Oxoiodonium [IO]+ (g) 1066.1 1064.1 ± 1.9 kJ/mol 142.90332 ± 0.00030 81182-81-2*0 O--HH Complex (H2)(O) (g, vdW Cinfv ?) 247.6 248.9 ± 2.7 kJ/mol 18.01528 ± 0.00033 *7732-18-5*101 Ethoxyethene CH2CHOCH2CH3 (g) -117.7 -136.2 ± 1.5 kJ/mol 72.1057 ± 0.0033 109-92-2*0 Chloroethane CH3CH2Cl (cr,l) -134.29 -135.91 ± 0.27 kJ/mol 64.5138 ± 0.0019 75-00-3*500 Ethoxyethene CH2CHOCH2CH3 (g, cis-perp) -111.2 -135.1 ± 2.3 kJ/mol 72.1057 ± 0.0033 109-92-2*21 Ethoxyethene CH2CHOCH2CH3 (g, trans-trans) -110.7 -132.9 ± 2.6 kJ/mol 72.1057 ± 0.0033 109-92-2*1 3-Imino-2-propen-1-ylidene CHCHCNH (g) 530.6 526.3 ± 1.2 kJ/mol 53.0627 ± 0.0024 916765-05-4*0 Oxoethylidene HCC(O)H (g) 261.1 258.3 ± 1.1 kJ/mol 42.0367 ± 0.0016 39920-84-8*0 3-Imino-2-propen-1-ylidene CHCHCNH (g, triplet) 571.8 567.0 ± 1.6 kJ/mol 53.0627 ± 0.0024 916765-05-4*2 Nitrous acid anion [HONO]- (g) -105.85 -109.32 ± 0.78 kJ/mol 47.01403 ± 0.00061 256393-36-9*0 Ethoxyethene CH2CHOCH2CH3 (g, trans-perp) -108.7 -131.9 ± 2.3 kJ/mol 72.1057 ± 0.0033 109-92-2*11 Propylidyne CH3CH2C (g) 492.4 482.7 ± 1.2 kJ/mol 41.0718 ± 0.0024 85056-54-8*0 Peroxyhypochlorous acid anion [HOOCl]- (g, quartet) -32.2 -34.0 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*0 2-(Methylidyneamino)ethenyl CHCHNCH (g) 600.6 596.3 ± 1.2 kJ/mol 53.0627 ± 0.0024 123416-74-0*0 Chlorohydroxymethylene ClCOH (g, cis) 14.3 11.4 ± 3.2 kJ/mol 64.4707 ± 0.0012 147723-60-2*2 2-(Methylidyneamino)ethenyl CHCHNCH (g, triplet) 634.4 630.4 ± 1.6 kJ/mol 53.0627 ± 0.0024 123416-74-0*2 COC vdW (CO)(C) (g) 589.7 598.5 ± 1.5 kJ/mol 40.0208 ± 0.0016 *12071-24-8*0 Chlorohydroxymethylene ClCOH (g) 13.9 11.2 ± 2.6 kJ/mol 64.4707 ± 0.0012 147723-60-2*0 Cyanogen iodide cation [ICN]+ (g) 1271.4 1271.2 ± 1.6 kJ/mol 152.92136 ± 0.00080 34749-78-5*0 2-Oxo-1-ethylium-1-yl [HCC(O)H]+ (g, quartet) 1289.4 1286.7 ± 2.5 kJ/mol 42.0361 ± 0.0016 214464-96-7*1 Hydroxyamidogen HNOH (g) 101.36 94.53 ± 0.81 kJ/mol 32.02202 ± 0.00034 13940-32-4*0 Hydrogen cyanide anion [HCN]- (g) 129.509 129.030 ± 0.090 kJ/mol 27.02593 ± 0.00081 12334-27-9*0 Hydrogen peroxide cation [H2O2]+ (g) 897.23 890.25 ± 0.51 kJ/mol 34.01413 ± 0.00062 12325-10-9*0 (Chlorooxy)methylene HCOCl (g, trans) 155.4 155.2 ± 3.7 kJ/mol 64.4707 ± 0.0012 331419-80-8*1 (Chlorooxy)methylene HCOCl (g) 119.1 117.8 ± 2.7 kJ/mol 64.4707 ± 0.0012 331419-80-8*0 Chlorous acid anion [HOClO]- (g) -154.3 -156.2 ± 3.3 kJ/mol 68.4600 ± 0.0011 99559-66-7*0 (Methylamino)methyl anion [CH3NHCH2]- (g) 201.1 184.1 ± 3.2 kJ/mol 44.0763 ± 0.0017 *31277-25-5*0 Dichlorine cation [Cl2]+ (g) 1108.307 1108.286 ± 0.0062 kJ/mol 70.9049 ± 0.0018 12595-90-3*0 Dioxyamidogen HNOO (g, trans) 251.1 244.5 ± 2.5 kJ/mol 47.01348 ± 0.00061 71843-95-3*1 2-Cyanovinyl CHCHCN (g) 447.9 445.5 ± 1.2 kJ/mol 52.0547 ± 0.0024 189141-20-6*0 2-Cyanovinylium [CHCHCN]+ (g, triplet) 1517.2 1515.1 ± 1.8 kJ/mol 52.0542 ± 0.0024 85398-67-0*2 2-Cyanovinyl anion [CHCHCN]- (g) 263.7 261.4 ± 1.8 kJ/mol 52.0553 ± 0.0024 *85398-67-0*0 Isocyanic acid anion [HNCO]- (g) -54.3 -57.4 ± 3.0 kJ/mol 43.02533 ± 0.00086 *444010-28-0*0 1,2-Butadiene CH3CHCCH2 (cr,l) 137.58 138.64 ± 0.66 kJ/mol 54.0904 ± 0.0032 590-19-2*500 2-Isocyanovinyl CHCHNC (g) 543.1 541.7 ± 1.7 kJ/mol 52.0547 ± 0.0024 225798-14-1*0 (Formyloxy)methyl HC(O)OCH2 (g) -151.9 -160.0 ± 1.3 kJ/mol 59.0440 ± 0.0017 3122-12-1*0 Hydroxyaminylium [HNOH]+ (g) 1019.5 1012.4 ± 2.5 kJ/mol 32.02147 ± 0.00034 66097-71-0*0 Cyanomethyliumyl [HCCN]+ (g) 1506.7 1508.2 ± 2.3 kJ/mol 39.0355 ± 0.0016 34447-38-6*0 Cyanomethylene anion [HCCN]- (g) 286.6 287.1 ± 1.5 kJ/mol 39.0366 ± 0.0016 12373-24-9*0 Cyanomethylene HCCN (g) 479.9 483.3 ± 1.1 kJ/mol 39.0361 ± 0.0016 2612-62-6*0 Carboxymethyl CH2C(O)OH (g) -227.4 -237.3 ± 1.2 kJ/mol 59.0440 ± 0.0017 2887-46-9*0 Chloroformyl anion [ClCO]- (g) -356.5 -352.9 ± 3.3 kJ/mol 63.4633 ± 0.0012 41976-93-6*0 Isocyanomethyliumyl [HCNC]+ (g) 1505.9 1507.8 ± 3.3 kJ/mol 39.0355 ± 0.0016 99045-54-2*0 Isocyanomethylene anion [HCNC]- (g) 400.6 401.3 ± 2.1 kJ/mol 39.0366 ± 0.0016 144141-01-5*0 Isocyanomethylene HCNC (g) 582.3 584.6 ± 1.7 kJ/mol 39.0361 ± 0.0016 78694-65-2*0 Isoformyl anion [COH]- (g) 55.7 58.4 ± 1.8 kJ/mol 29.01859 ± 0.00086 81747-63-9*0 3-Oxo-1,2-propadien-1-ylium-1-yl [CCCO]+ (g) 1379.9 1385.2 ± 3.9 kJ/mol 52.0310 ± 0.0024 151455-13-9*0 3-Oxo-1,2-propadienylidene anion [CCCO]- (g) 224.0 229.8 ± 3.6 kJ/mol 52.0320 ± 0.0024 109292-50-4*0 Propynylidene HCCCH (g, singlet) 597.6 599.4 ± 1.3 kJ/mol 38.0480 ± 0.0024 67152-18-5*2 Oxoethylidene anion [HCC(O)H]- (g) 86.9 84.2 ± 2.1 kJ/mol 42.0372 ± 0.0016 106543-38-8*0 Ethane anion [CH3CH3]- (g) 41.8 26.5 ± 4.4 kJ/mol 30.0696 ± 0.0017 54064-82-3*0 2-Propenylidene CHCHCH2 (g, triplet syn) 419.0 411.4 ± 2.3 kJ/mol 40.0639 ± 0.0024 19527-08-3*12 Propargylenide [HCCCH]- (g) 434.4 437.6 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*0 Cyanic acid cation [HOCN]+ (g) 1135.8 1133.2 ± 2.9 kJ/mol 43.02423 ± 0.00086 59780-31-3*0 Cyanic acid anion [HOCN]- (g) -9.2 -9.5 ± 3.1 kJ/mol 43.02533 ± 0.00086 58199-47-6*0 Trihydrogen HHH (g, TS) 254.5 250.7 ± 1.2 kJ/mol 3.02382 ± 0.00021 12184-91-7*200 Ethylene anion [CH2CH2]- (g) 232.0 225.6 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*0 Cyclobutenyl anion [CH2(CHCHCH)]- (g) 318.3 305.9 ± 3.7 kJ/mol 53.0830 ± 0.0032 60211-42-9*0 Hydrodioxonitrogen cation [HN(O)O]+ (g) 1130.2 1123.6 ± 3.0 kJ/mol 47.01293 ± 0.00061 252986-76-8*0 Methylaminyliumyl [CH3N]+ (g ?) 1388.3 1381.9 ± 2.3 kJ/mol 29.04071 ± 0.00083 56924-51-7*0 2-Methoxy-2-oxoethyl CH2C(O)OCH3 (g) -203.4 -218.7 ± 1.6 kJ/mol 73.0706 ± 0.0025 54668-31-4*0 Peroxyformic acid HC(O)OOH (g) -279.38 -288.52 ± 0.88 kJ/mol 62.0248 ± 0.0012 107-32-4*0 Phenylperoxy cation [C6H5OO]+ (g) 1018.0 1001.0 ± 3.1 kJ/mol 109.1022 ± 0.0049 956036-17-2*0 Phenylperoxy anion [C6H5OO]- (g) -39.8 -56.8 ± 3.3 kJ/mol 109.1032 ± 0.0049 *956036-17-2*0 Oxirene O(CHCH) (g, triplet) 387.8 384.5 ± 1.4 kJ/mol 42.0367 ± 0.0016 157-18-6*1 Hydrodioxonitrate [HN(O)O]- (g) -61.8 -68.2 ± 3.2 kJ/mol 47.01403 ± 0.00061 61508-71-2*0 2-Iodoethanol ICH2CH2OH (g) -132.0 -150.2 ± 2.5 kJ/mol 171.9650 ± 0.0017 624-76-0*0 Pentachloroethylium [CCl3CCl2]+ (g) 836.2 834.5 ± 3.3 kJ/mol 201.2844 ± 0.0048 *7094-17-9*0 Nitrosodioxaziridine ONN(OO) (g, cis) 413.9 408.1 ± 3.2 kJ/mol 76.01168 ± 0.00091 132871-99-9*2 Fulvene cation [CH2C(CHCHCHCH)]+ (g) 1042.9 1027.2 ± 2.8 kJ/mol 78.1113 ± 0.0048 34504-75-1*0 Fulvene anion [CH2C(CHCHCHCH)]- (g) 190.7 175.7 ± 4.1 kJ/mol 78.1124 ± 0.0048 34504-63-7*0 Dioxodiazoxane ONONO (g) 93.0 88.1 ± 1.3 kJ/mol 76.01168 ± 0.00091 122413-35-8*0 Isofulminic acid cation [HONC]+ (g) 1377.0 1374.9 ± 2.9 kJ/mol 43.02423 ± 0.00086 117800-60-9*0 Chlorine pentafluoride anion [FCl(F)(F)(F)F]- (g) -619.3 -622.7 ± 4.4 kJ/mol 130.44526 ± 0.00090 184851-42-1*0 Diazene HNNH (g, trans-cis-iso equilib) 207.09 199.95 ± 0.41 kJ/mol 30.02936 ± 0.00020 3618-05-1*0 Silicon cation Si+ (g) 1232.75 1236.88 ± 0.20 kJ/mol 28.08495 ± 0.00030 14067-07-3*0 Silicon anion Si- (g) 312.17 315.15 ± 0.20 kJ/mol 28.08605 ± 0.00030 14337-02-1*0 Difluorodioxidanium [FOOF]+ (g) 1283.6 1280.0 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*0 Pentachloroethanide [CCl3CCl2]- (g) -283.7 -282.2 ± 3.9 kJ/mol 201.2854 ± 0.0048 263019-83-6*0 Iminomethyl HCNH (g) 275.79 272.18 ± 0.61 kJ/mol 28.03332 ± 0.00082 15691-95-9*0 Tetraoxidanyl HOOOO (g, trans) 76.7 69.5 ± 6.1 kJ/mol 65.0055 ± 0.0012 69696-93-1*1 Imidogen NH (g, singlet) 509.33 509.38 ± 0.18 kJ/mol 15.014680 ± 0.000099 13774-92-0*2 Silicon carbide SiC (cr,l) -71.0 -72.1 ± 1.4 kJ/mol 40.09620 ± 0.00085 409-21-2*500 (Dimethylamino)methyl anion [(CH3)2NCH2]- (g) 189.9 165.7 ± 3.3 kJ/mol 58.1029 ± 0.0025 125231-49-4*0 Chlorine trifluoride anion [FCl(F)F]- (g) -480.4 -481.9 ± 3.6 kJ/mol 92.44846 ± 0.00090 184289-50-7*0 (Acetyloxy)methyl CH3C(O)OCH2 (g) -200.7 -214.5 ± 1.6 kJ/mol 73.0706 ± 0.0025 2887-49-2*0 Quartz SiO2 (cr, alpha-quartz) -906.11 -911.09 ± 0.94 kJ/mol 60.08430 ± 0.00067 14808-60-7*501 Chlorine pentafluoride cation [FCl(F)(F)(F)F]+ (g) 1005.8 996.8 ± 3.3 kJ/mol 130.44417 ± 0.00090 478167-78-1*0 Quartz SiO2 (cr, alpha-tridymite) -900.8 -905.6 ± 1.6 kJ/mol 60.08430 ± 0.00067 14808-60-7*515 1-Methylethylidene CH3CCH3 (g) 315.92 303.02 ± 0.99 kJ/mol 42.0797 ± 0.0024 40852-89-9*0 Neon dication [Ne]+2 (g) 6032.988 6033.214 ± 0.0041 kJ/mol 20.17860 ± 0.00060 14041-55-5*0 Neon trication [Ne]+3 (g) 12152.403 12152.403 ± 0.033 kJ/mol 20.17805 ± 0.00060 14158-25-9*0 Neon tetracation [Ne]+4 (g) 21529.82 21531.45 ± 0.25 kJ/mol 20.17751 ± 0.00060 14041-56-6*0 Neon pentacation [Ne]+5 (g) 33711.1 33711.1 ± 1.2 kJ/mol 20.17696 ± 0.00060 14175-48-5*0 Neon hexacation [Ne]+6 (g) 48949.3 48949.3 ± 1.3 kJ/mol 20.17641 ± 0.00060 14041-57-7*0 Neon heptacation [Ne]+7 (g) 68948.7 68948.7 ± 1.5 kJ/mol 20.17586 ± 0.00060 14175-50-9*0 Neon octacation [Ne]+8 (g) 92018.2 92018.2 ± 1.5 kJ/mol 20.17531 ± 0.00060 14782-26-4*0 Neon nonacation [Ne]+9 (g) 207396.1 207396.1 ± 1.5 kJ/mol 20.17476 ± 0.00060 15721-59-2*0 Neon cation Ne+ (g) 2080.662 2080.769 ± 0.000 kJ/mol 20.17915 ± 0.00060 14782-23-1*0 Neon decacation [Ne]+10 (g) 338828.3 338828.3 ± 1.5 kJ/mol 20.17421 ± 0.00060 32218-07-8*0 Argon dimer cation [Ar2]+ (g) 1393.760 1391.173 ± 0.018 kJ/mol 79.8955 ± 0.0020 17596-58-6*0 Argon cation Ar+ (g) 1520.571 1520.580 ± 0.000 kJ/mol 39.94745 ± 0.00100 14791-69-6*0 Argon dimer Ar2 (g) -1.013 -6.347 ± 0.0051 kJ/mol 79.8960 ± 0.0020 12595-59-4*0 Helium cation He+ (g) 2372.322 2372.322 ± 0.000 kJ/mol 4.0020534 ± 0.0000020 14234-48-1*0 Helium dication [He]+2 (g) 7622.839 7622.839 ± 0.000 kJ/mol 4.0015048 ± 0.0000020 12587-46-1*0 Helium anion He- (g, 1s2.2s 2S1/2) 51. 51. ± 130. kJ/mol 4.0031506 ± 0.0000020 14452-58-5*1 Helium anion He- (g) 51. 51. ± 130. kJ/mol 4.0031506 ± 0.0000020 14452-58-5*0 Argon anion Ar- (g, 2S1/2) 23. 23. ± 75. kJ/mol 39.94855 ± 0.00100 16544-90-4*1 Argon anion Ar- (g) 23. 23. ± 75. kJ/mol 39.94855 ± 0.00100 16544-90-4*0 Helium anion He- (g, 1s.2s2 2S1/2) 1868.43 1868.43 ± 0.11 kJ/mol 4.0031506 ± 0.0000020 14452-58-5*2 Helium anion He- (g, 1s.2s.2p 4P) 1904.823 1904.824 ± 0.0011 kJ/mol 4.0031506 ± 0.0000020 14452-58-5*3 Helium anion He- (g, 2p3 4S3/2) 5724.9 5724.9 ± 1.5 kJ/mol 4.0031506 ± 0.0000020 14452-58-5*4 Argon anion Ar- (g, 4S3/2) 1111.116 1111.116 ± 0.098 kJ/mol 39.94855 ± 0.00100 16544-90-4*2 Hydron H+ (aq) 0 0 exact 1.007391 ± 0.000070 12408-02-5*800
References
1
B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner,
Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited.
J. Phys. Chem. A 108 , 9979-9997 (2004)
[DOI: 10.1021/jp047912y]
2
B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner,
Active Thermochemical Tables: Thermochemistry for the 21st Century.
J. Phys. Conf. Ser. 16 , 561-570 (2005)
[DOI: 10.1088/1742-6596/16/1/078]
3
B. Ruscic and D. H. Bross, Active Thermochemical Tables (ATcT) values based on ver. 1.122q of the Thermochemical Network, Argonne National Laboratory, Lemont, Illinois 2021 [DOI: 10.17038/1821118]; available at ATcT.anl.gov
4
D. Feller, D. H. Bross, and B. Ruscic,
Enthalpy of Formation of N2H4 (Hydrazine) Revisited.
J. Phys. Chem. A 121 , 6187-6198 (2017)
[DOI: 10.1021/acs.jpca.7b06017]
5
D. Feller, D. H. Bross, and B. Ruscic,
Enthalpy of Formation of C2H2O4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach.
J. Phys. Chem. A 123 , 3481-3496 (2019)
[DOI: 10.1021/acs.jpca.8b12329]
6
B. K. Welch, R. Dawes, D. H. Bross, and B. Ruscic,
An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families.
J. Phys. Chem. A 123 , 5673-5682 (2019)
[DOI: 10.1021/acs.jpca.8b12329]
7
B. Ruscic,
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables.
Int. J. Quantum Chem. 114 , 1097-1101 (2014)
[DOI: 10.1002/qua.24605]
Formula
The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.
Uncertainties
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [7 ]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
Website Functionality Credits
The reorganization of the website was developed and implemented by David H. Bross (ANL).
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict .
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/ .
Acknowledgement
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.
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