ATcT [1 , 2 ] enthalpies of formation based on version 1.122e of the Thermochemical Network [3 ]
Below is a list of 0 K and 298.15 K enthalpies of formation
for all 1604 species included in version 1.122e (as of 09/05/2016). This version of ATcT results was generated from an expansion of version 1.122d [4 ] to include chemical species related to methyl acetate and methyl formate [5 ].
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 reaction search accepts only the preferred formula, as specified in this version of the Thermochemical Network. For help finding the current preferred formula of a species, please refer to the species name or species formula searches above. For convenience clicking the preferred formula adds it to the species list for reaction searches. 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 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) 711.401 716.886 ± 0.048 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 Chlorine atom Cl (g) 119.621 121.302 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*0 Fluorine atom F (g) 77.255 79.361 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*0 Methane CH4 (g) -66.557 -74.526 ± 0.056 kJ/mol 16.04246 ± 0.00085 74-82-8*0 Water H2O (cr,l) -286.301 -285.829 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*500 Ethane CH3CH3 (g) -68.34 -83.97 ± 0.13 kJ/mol 30.0690 ± 0.0017 74-84-0*0 Water H2O (g) -238.931 -241.835 ± 0.027 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) 60.88 52.36 ± 0.12 kJ/mol 28.0532 ± 0.0016 74-85-1*0 Bromine atom Br (g) 117.914 111.851 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*0 Methanol CH3OH (g) -190.06 -200.95 ± 0.16 kJ/mol 32.04186 ± 0.00090 67-56-1*0 Hydrogen chloride HCl (g) -91.989 -92.173 ± 0.0062 kJ/mol 36.46064 ± 0.00090 7647-01-0*0 Hydroxyl OH (g) 37.249 37.489 ± 0.027 kJ/mol 17.00734 ± 0.00031 3352-57-6*0 Carbon monoxide CO (g) -113.803 -110.523 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*0 Methyl CH3 (g) 149.860 146.446 ± 0.075 kJ/mol 15.03452 ± 0.00083 2229-07-4*0 Formaldehyde CH2O (g) -105.382 -109.221 ± 0.098 kJ/mol 30.02598 ± 0.00087 50-00-0*0 Propane CH3CH2CH3 (g) -82.73 -105.01 ± 0.18 kJ/mol 44.0956 ± 0.0025 74-98-6*0 Hydrogen fluoride HF (g) -272.677 -272.724 ± 0.049 kJ/mol 20.006343 ± 0.000070 7664-39-3*0 Hydrogen bromide HBr (g) -27.98 -35.83 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*0 Iodine atom I (g) 107.157 106.757 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*0 Ethyl CH3CH2 (g) 131.05 119.99 ± 0.27 kJ/mol 29.0611 ± 0.0016 2025-56-1*0 Ethanol CH3CH2OH (g) -217.25 -234.97 ± 0.22 kJ/mol 46.0684 ± 0.0017 64-17-5*0 Acetylene HCCH (g) 228.82 228.26 ± 0.13 kJ/mol 26.0373 ± 0.0016 74-86-2*0 Nitric oxide NO (g) 90.619 91.123 ± 0.065 kJ/mol 30.00614 ± 0.00031 10102-43-9*0 Chloromethane CH3Cl (g) -74.66 -82.60 ± 0.20 kJ/mol 50.4872 ± 0.0012 74-87-3*0 Hydrogen cyanide HCN (g) 129.661 129.277 ± 0.090 kJ/mol 27.02538 ± 0.00081 74-90-8*0 Ammonia NH3 (g) -38.565 -45.557 ± 0.030 kJ/mol 17.03056 ± 0.00022 7664-41-7*0 Propene CH3CHCH2 (g) 34.94 19.94 ± 0.21 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 Hydroxyde [OH]- (g) -139.092 -139.059 ± 0.027 kJ/mol 17.00789 ± 0.00031 14280-30-9*0 Dioxidanyl HO2 (g) 15.13 12.22 ± 0.15 kJ/mol 33.00674 ± 0.00060 3170-83-0*0 Hydrogen iodide HI (g) 28.645 26.469 ± 0.036 kJ/mol 127.912410 ± 0.000076 10034-85-2*0 Fluoromethane CH3F (g) -227.45 -235.48 ± 0.24 kJ/mol 34.03292 ± 0.00083 593-53-3*0 Acetaldehyde CH3CHO (g) -155.14 -165.61 ± 0.26 kJ/mol 44.0526 ± 0.0017 75-07-0*0 Hydrogen peroxide H2O2 (g) -129.478 -135.464 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*0 Bromomethane CH3Br (g) -20.94 -36.34 ± 0.18 kJ/mol 94.9385 ± 0.0013 74-83-9*0 n-Butane CH3CH2CH2CH3 (g) -98.46 -125.77 ± 0.26 kJ/mol 58.1222 ± 0.0033 106-97-8*0 Benzene C6H6 (g) 100.62 83.11 ± 0.23 kJ/mol 78.1118 ± 0.0048 71-43-2*0 Methylene CH2 (g, singlet) 428.72 429.14 ± 0.11 kJ/mol 14.02658 ± 0.00081 2465-56-7*2 Hypochlorous acid HOCl (g) -73.868 -76.808 ± 0.028 kJ/mol 52.46004 ± 0.00095 7790-92-3*0 Propyne CH3CCH (g) 192.79 185.74 ± 0.24 kJ/mol 40.0639 ± 0.0024 74-99-7*0 Dibromine Br2 (g) 45.67 30.88 ± 0.11 kJ/mol 159.8080 ± 0.0020 7726-95-6*0 Methylene CH2 (g, triplet) 391.063 391.621 ± 0.099 kJ/mol 14.02658 ± 0.00081 2465-56-7*1 Formic acid HC(O)OH (g, syn) -371.08 -378.40 ± 0.22 kJ/mol 46.0254 ± 0.0010 64-18-6*1 Fluoride F- (g) -250.909 -249.125 ± 0.048 kJ/mol 18.99895178 ± 0.00000050 16984-48-8*0 Diiodine I2 (g) 65.497 62.417 ± 0.0041 kJ/mol 253.808940 ± 0.000060 7553-56-2*0 Ketene CH2CO (g) -45.35 -48.46 ± 0.12 kJ/mol 42.0367 ± 0.0016 463-51-4*0 Tetrachloromethane CCl4 (g) -93.48 -95.65 ± 0.44 kJ/mol 153.8215 ± 0.0037 56-23-5*0 Chloroethane CH3CH2Cl (g) -96.89 -111.48 ± 0.26 kJ/mol 64.5138 ± 0.0019 75-00-3*0 Tetrafluoromethane CF4 (g) -927.45 -933.42 ± 0.25 kJ/mol 88.00431 ± 0.00080 75-73-0*0 Methylidyne CH (g) 592.824 596.159 ± 0.099 kJ/mol 13.01864 ± 0.00080 3315-37-5*0 Toluene C6H5CH3 (g) 73.30 50.01 ± 0.34 kJ/mol 92.1384 ± 0.0056 108-88-3*0 Fluoroform CHF3 (g) -688.93 -695.88 ± 0.43 kJ/mol 70.01385 ± 0.00080 75-46-7*0 Ozone OOO (g) 144.397 141.734 ± 0.039 kJ/mol 47.99820 ± 0.00090 10028-15-6*0 Trifluoromethyl CF3 (g) -465.08 -467.88 ± 0.49 kJ/mol 69.00591 ± 0.00080 2264-21-3*0 Ethylium [CH3CH2]+ (g) 914.83 902.75 ± 0.31 kJ/mol 29.0606 ± 0.0016 14936-94-8*0 Acetone CH3C(O)CH3 (g) -200.16 -216.85 ± 0.38 kJ/mol 58.0791 ± 0.0025 67-64-1*0 Phenol C6H5OH (g) -74.66 -93.26 ± 0.64 kJ/mol 94.1112 ± 0.0048 108-95-2*0 Oxonium [H3O]+ (g) 605.83 599.08 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*0 Chloride Cl- (g) -228.953 -227.346 ± 0.0021 kJ/mol 35.45325 ± 0.00090 16887-00-6*0 Bromide Br- (g) -206.623 -212.686 ± 0.056 kJ/mol 79.90455 ± 0.00100 24959-67-9*0 Hypobromous acid HOBr (g) -51.72 -62.20 ± 0.59 kJ/mol 96.9113 ± 0.0010 13517-11-8*0 Vinyl CH2CH (g) 301.13 296.94 ± 0.34 kJ/mol 27.0452 ± 0.0016 2669-89-8*0 Methoxy CH3O (g) 28.79 21.42 ± 0.29 kJ/mol 31.03392 ± 0.00088 2143-68-2*0 Chlorooxidanyl ClO (g) 101.125 101.716 ± 0.035 kJ/mol 51.45210 ± 0.00095 14989-30-1*0 Methylamine CH3NH2 (g) -7.02 -21.72 ± 0.31 kJ/mol 31.05714 ± 0.00088 74-89-5*0 Methoxide [CH3O]- (g) -122.68 -130.41 ± 0.30 kJ/mol 31.03447 ± 0.00088 3315-60-4*0 Hydroxymethyl CH2OH (g) -10.58 -16.89 ± 0.28 kJ/mol 31.03392 ± 0.00088 2597-43-5*0 Oxomethylium [HCO]+ (g) 827.769 827.184 ± 0.098 kJ/mol 29.01749 ± 0.00086 17030-74-9*0 Allene CH2CCH2 (g) 197.34 189.86 ± 0.25 kJ/mol 40.0639 ± 0.0024 463-49-0*0 1,3-Butadiene CH2CHCHCH2 (g) 125.32 110.84 ± 0.37 kJ/mol 54.0904 ± 0.0032 106-99-0*0 Imidogen NH (g) 358.75 358.79 ± 0.17 kJ/mol 15.014680 ± 0.000099 13774-92-0*0 Nitrilomethyl CN (g) 436.73 440.02 ± 0.15 kJ/mol 26.01744 ± 0.00080 2074-87-5*0 Dioxymethyl CH2OO (g) 111.88 104.88 ± 0.63 kJ/mol 46.0254 ± 0.0010 56077-92-0*0 Acetic acid CH3C(O)OH (g, syn) -418.66 -432.79 ± 0.45 kJ/mol 60.0520 ± 0.0017 64-19-7*1 Difluorophosgene CF2O (g) -603.38 -606.48 ± 0.41 kJ/mol 66.00691 ± 0.00085 353-50-4*0 Phenyl C6H5 (g) 350.24 336.89 ± 0.54 kJ/mol 77.1039 ± 0.0048 2396-01-2*0 Nitric acid HON(O)O (g) -124.49 -134.21 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*0 Formyl HCO (g) 41.393 41.769 ± 0.098 kJ/mol 29.01804 ± 0.00086 2597-44-6*0 Allyl CH2CHCH2 (g) 180.04 168.31 ± 0.45 kJ/mol 41.0718 ± 0.0024 1981-80-2*0 Iodide I- (g) -187.995 -188.396 ± 0.0021 kJ/mol 126.905019 ± 0.000030 20461-54-5*0 Cyanogen chloride ClCN (g) 134.94 135.64 ± 0.46 kJ/mol 61.4701 ± 0.0012 506-77-4*0 iso-Butane CH(CH3)3 (g) -106.02 -134.63 ± 0.31 kJ/mol 58.1222 ± 0.0033 75-28-5*0 Methylium [CH3]+ (g) 1099.266 1095.322 ± 0.073 kJ/mol 15.03397 ± 0.00083 14531-53-4*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 Propargyl CH2CCH (g) 353.97 351.38 ± 0.38 kJ/mol 39.0559 ± 0.0024 2932-78-7*0 Dichloromethane CH2Cl2 (g) -87.18 -94.03 ± 0.49 kJ/mol 84.9320 ± 0.0020 75-09-2*0 Vinyl chloride CH2CHCl (g) 29.28 21.70 ± 0.30 kJ/mol 62.4979 ± 0.0018 75-01-4*0 Cyanogen bromide BrCN (g) 186.7 180.1 ± 1.1 kJ/mol 105.9214 ± 0.0013 506-68-3*0 Iodomethane CH3I (g) 24.43 14.89 ± 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 Ethoxide [CH3CH2O]- (g) -163.62 -178.56 ± 0.49 kJ/mol 45.0610 ± 0.0017 16331-64-9*0 Amidogen NH2 (g) 188.92 186.03 ± 0.11 kJ/mol 16.02262 ± 0.00016 13770-40-6*0 n-Propyl CH3CH2CH2 (g) 118.34 100.94 ± 0.55 kJ/mol 43.0877 ± 0.0024 2143-61-5*0 iso-Propyl CH3CHCH3 (g) 105.33 88.46 ± 0.53 kJ/mol 43.0877 ± 0.0024 2025-55-0*0 2-Hydroxyethyl CH2CH2OH (g, gauche-syn) -13.04 -26.30 ± 0.61 kJ/mol 45.0605 ± 0.0017 4422-54-2*1 Tetrabromomethane CBr4 (g) 132.9 103.2 ± 1.3 kJ/mol 331.6267 ± 0.0041 558-13-4*0 Difluoromethane CH2F2 (g) -443.02 -450.63 ± 0.35 kJ/mol 52.02339 ± 0.00081 75-10-5*0 Oxygen difluoride FOF (g) 26.81 24.56 ± 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 Methyl hydroperoxide CH3OOH (g) -115.14 -127.96 ± 0.72 kJ/mol 48.0413 ± 0.0010 3031-73-0*0 Methylperoxy CH3OO (g) 22.21 12.57 ± 0.48 kJ/mol 47.0333 ± 0.0010 2143-58-0*0 Propynylidene HCCCH (g, triplet) 543.41 546.41 ± 0.64 kJ/mol 38.0480 ± 0.0024 67152-18-5*1 Ethenol CH2CHOH (g, syn) -112.71 -123.91 ± 0.66 kJ/mol 44.0526 ± 0.0017 557-75-5*1 Chloroform CHCl3 (g) -97.52 -102.42 ± 0.52 kJ/mol 119.3767 ± 0.0028 67-66-3*0 Oxygen atom cation O+ (g) 1560.786 1562.644 ± 0.0021 kJ/mol 15.99885 ± 0.00030 14581-93-2*0 1,2-Propadiene-1,3-diylidene CCC (g) 814.67 823.63 ± 0.55 kJ/mol 36.0321 ± 0.0024 12075-35-3*0 Acetonitrile CH3CN (g) 81.11 74.06 ± 0.26 kJ/mol 41.0520 ± 0.0016 75-05-8*0 Cyanic fluoride FCN (g) 8.79 9.12 ± 0.71 kJ/mol 45.01584 ± 0.00080 1495-50-7*0 1-Hydroxyethyl CH3CHOH (g, gauche-anti) -42.26 -55.69 ± 0.65 kJ/mol 45.0605 ± 0.0017 2348-46-1*1 Hydroxyformyl HOCO (g, trans) -181.19 -184.16 ± 0.50 kJ/mol 45.0174 ± 0.0010 2564-86-5*1 Formate [HC(O)O]- (g) -463.15 -466.79 ± 0.56 kJ/mol 45.0180 ± 0.0010 71-47-6*0 Tetrafluoroethylene CF2CF2 (g) -671.21 -674.61 ± 0.55 kJ/mol 100.0150 ± 0.0016 116-14-3*0 Fluoromethylidyne CF (g) 243.15 246.75 ± 0.13 kJ/mol 31.00910 ± 0.00080 3889-75-6*0 Chlorine fluoride ClF (g) -55.620 -55.715 ± 0.055 kJ/mol 54.45110 ± 0.00090 7790-89-8*0 Diazynium [NNH]+ (g) 1042.55 1038.94 ± 0.68 kJ/mol 29.02087 ± 0.00016 12357-66-3*0 Methanimine CH2NH (g) 96.25 88.34 ± 0.62 kJ/mol 29.04126 ± 0.00083 2053-29-4*0 Nitrite [ONO]- (g) -182.63 -185.44 ± 0.46 kJ/mol 46.00609 ± 0.00060 14797-65-0*0 Hydroxylamine NH2OH (g, trans) -33.23 -43.61 ± 0.46 kJ/mol 33.02996 ± 0.00037 7803-49-8*1 Nitrosyl hydride HNO (g) 109.93 106.96 ± 0.11 kJ/mol 31.01408 ± 0.00032 14332-28-6*0 Nitrous acid HONO (g, trans) -73.005 -79.148 ± 0.079 kJ/mol 47.01348 ± 0.00061 7782-77-6*1 Ethynylene C2 (g) 820.28 828.75 ± 0.26 kJ/mol 24.0214 ± 0.0016 12070-15-4*0 Hydride H- (g) 143.264 145.228 ± 0.000 kJ/mol 1.008489 ± 0.000070 12184-88-2*0 n-Butyl CH3CH2CH2CH2 (g) 102.75 80.24 ± 0.70 kJ/mol 57.1143 ± 0.0033 2492-36-6*0 Cyclopentadiene CH2(CHCHCHCH) (g) 150.83 133.71 ± 0.66 kJ/mol 66.1011 ± 0.0040 542-92-7*0 Methoxymethane CH3OCH3 (g) -166.39 -183.90 ± 0.41 kJ/mol 46.0684 ± 0.0017 115-10-6*0 Isocyanic acid HNCO (g) -115.85 -118.84 ± 0.31 kJ/mol 43.02478 ± 0.00086 75-13-8*0 Methyl acetate CH3C(O)OCH3 (g, syn) -394.20 -413.07 ± 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 Phenylium [C6H5]+ (g) 1148.46 1135.68 ± 0.87 kJ/mol 77.1034 ± 0.0048 17333-73-2*0 Fluorooxidanyl FO (g) 110.27 110.89 ± 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) 921.96 911.71 ± 0.45 kJ/mol 17.04985 ± 0.00087 15135-49-6*0 Oxirane O(CH2CH2) (g) -40.06 -52.59 ± 0.38 kJ/mol 44.0526 ± 0.0017 75-21-8*0 Ethynide [CCH]- (g) 277.41 280.82 ± 0.18 kJ/mol 25.0299 ± 0.0016 29075-95-4*0 cis-2-Butene CH3CHCHCH3 (g, cis) 14.20 -7.07 ± 0.41 kJ/mol 56.1063 ± 0.0032 590-18-1*0 Methanetetraylbisamidogen NCN (g) 450.42 450.83 ± 0.64 kJ/mol 40.02418 ± 0.00081 2669-76-3*0 Fluoroethane CH3CH2F (g) -257.23 -272.09 ± 0.37 kJ/mol 48.0595 ± 0.0016 353-36-6*0 Chlorotrifluoromethane CF3Cl (g) -704.86 -709.97 ± 0.71 kJ/mol 104.4586 ± 0.0012 75-72-9*0 Bromotrifluoromethane CF3Br (g) -639.16 -651.28 ± 0.47 kJ/mol 148.9099 ± 0.0013 75-63-8*0 Ethyl bromide CH3CH2Br (g) -41.42 -63.36 ± 0.25 kJ/mol 108.9651 ± 0.0019 74-96-4*0 Fluorobenzene C6H5F (g) -99.08 -114.75 ± 0.89 kJ/mol 96.1023 ± 0.0048 462-06-6*0 Nitromethane CH3N(O)O (g) -60.84 -74.74 ± 0.46 kJ/mol 61.0401 ± 0.0010 75-52-5*0 Chlorine dioxide OClO (g) 101.33 98.85 ± 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 Methylidyne CH (g, quartet) 664.55 667.89 ± 0.59 kJ/mol 13.01864 ± 0.00080 3315-37-5*2 Ethanide [CH3CH2]- (g) 155.30 144.22 ± 0.89 kJ/mol 29.0616 ± 0.0016 25013-41-6*0 Ethynyl CCH (g) 563.86 567.98 ± 0.14 kJ/mol 25.0293 ± 0.0016 2122-48-7*0 Aminomethyl CH2NH2 (g) 158.91 149.07 ± 0.44 kJ/mol 30.04920 ± 0.00085 10507-29-6*0 Peroxyformic acid HC(O)OOH (g, cis) -279.34 -288.69 ± 0.90 kJ/mol 62.0248 ± 0.0012 107-32-4*1 Cyclopropane CH2(CH2CH2) (g) 70.98 53.86 ± 0.41 kJ/mol 42.0797 ± 0.0024 75-19-4*0 Propadienylidene CH2CC (g) 554.41 555.56 ± 0.41 kJ/mol 38.0480 ± 0.0024 60731-10-4*0 Ethoxy CH3CH2O (g, X 2A") 1.51 -12.40 ± 0.48 kJ/mol 45.0605 ± 0.0017 2154-50-9*51 Acetyl CH3CO (g) -3.31 -9.97 ± 0.35 kJ/mol 43.0446 ± 0.0016 3170-69-2*0 Cyanooxidanyl NCO (g) 127.02 127.49 ± 0.35 kJ/mol 42.01684 ± 0.00086 22400-26-6*0 Methyl formate HC(O)OCH3 (g, syn) -346.70 -359.75 ± 0.94 kJ/mol 60.0520 ± 0.0017 107-31-3*1 Phenolate [C6H5O]- (g) -146.36 -161.83 ± 0.88 kJ/mol 93.1038 ± 0.0048 3229-70-7*0 Dimethylamine (CH3)2NH (g) 3.54 -18.10 ± 0.48 kJ/mol 45.0837 ± 0.0017 124-40-3*0 Bromoform CHBr3 (g) 74.7 48.5 ± 1.3 kJ/mol 252.7306 ± 0.0031 75-25-2*0 Cyclopentadienyl CH(CHCHCHCH) (g) 274.43 261.32 ± 0.93 kJ/mol 65.0932 ± 0.0040 2143-53-5*0 Bromooxidanyl BrO (g) 131.14 123.60 ± 0.28 kJ/mol 95.9034 ± 0.0010 15656-19-6*0 Hypobromite [BrO]- (g) -96.16 -103.64 ± 0.54 kJ/mol 95.9039 ± 0.0010 14380-62-2*0 Fluorodioxidanyl FOO (g) 26.80 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 Cyanide [CN]- (g) 63.957 67.243 ± 0.094 kJ/mol 26.01799 ± 0.00080 57-12-5*0 Isobutene CH2C(CH3)2 (g) 4.03 -17.04 ± 0.42 kJ/mol 56.1063 ± 0.0032 115-11-7*0 1-Butene CH2CHCH2CH3 (g) 21.01 0.06 ± 0.38 kJ/mol 56.1063 ± 0.0032 106-98-9*0 Dichloromethylene CCl2 (g, singlet) 229.49 230.67 ± 0.64 kJ/mol 82.9161 ± 0.0020 1605-72-7*2 Vinyl fluoride CH2CHF (g) -134.63 -142.43 ± 0.48 kJ/mol 46.0436 ± 0.0016 75-02-5*0 Vinyl bromide CH2CHBr (g) 88.61 73.81 ± 0.60 kJ/mol 106.9492 ± 0.0019 593-60-2*0 Chlorobenzene C6H5Cl (g) 67.14 52.19 ± 0.61 kJ/mol 112.5566 ± 0.0049 108-90-7*0 Hydrogen fluoride HF (aq) -334.49 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*800 Difluorodioxidane FOOF (g) 35.27 31.54 ± 0.41 kJ/mol 69.99561 ± 0.00060 7783-44-0*0 Water H2O (l) -285.829 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*590 Nitrous oxide NNO (g) 85.997 82.568 ± 0.097 kJ/mol 44.01288 ± 0.00033 10024-97-2*0 (E)-Diazene HNNH (g, trans) 207.09 199.95 ± 0.44 kJ/mol 30.02936 ± 0.00020 15626-43-4*0 Hydroxyoxomethylium [HOCO]+ (g) 600.66 597.58 ± 0.44 kJ/mol 45.0169 ± 0.0010 638-71-1*0 Ethylidene CH3CH (g, triplet) 361.35 354.35 ± 0.76 kJ/mol 28.0532 ± 0.0016 4218-50-2*1 Vinylium [CH2CH]+ (g) 1118.99 1115.54 ± 0.59 kJ/mol 27.0447 ± 0.0016 14604-48-9*0 Hydroxymethylium [CH2OH]+ (g) 717.65 709.71 ± 0.19 kJ/mol 31.03337 ± 0.00088 18682-95-6*0 Cyanogen NCCN (g) 308.31 310.26 ± 0.43 kJ/mol 52.0349 ± 0.0016 460-19-5*0 Peroxyformyl HC(O)OO (g, syn) -100.46 -105.77 ± 0.93 kJ/mol 61.0168 ± 0.0012 56240-83-6*1 Dioxidanide [HO2]- (g) -88.86 -91.53 ± 0.34 kJ/mol 33.00729 ± 0.00060 14691-59-9*0 Cyclopropene CH2(CHCH) (g) 292.34 283.61 ± 0.53 kJ/mol 40.0639 ± 0.0024 2781-85-3*0 n-Pentane CH3CH2CH2CH2CH3 (g) -114.40 -146.27 ± 0.31 kJ/mol 72.1488 ± 0.0041 109-66-0*0 Trioxidane HOOOH (g, trans) -82.04 -90.88 ± 0.70 kJ/mol 50.01408 ± 0.00091 14699-99-1*1 Formic acid HC(O)OH (g, anti) -354.71 -361.81 ± 0.39 kJ/mol 46.0254 ± 0.0010 64-18-6*2 Formic acid HC(O)OH (g) -371.08 -378.37 ± 0.22 kJ/mol 46.0254 ± 0.0010 64-18-6*0 Trichloromethyl CCl3 (g) 71.95 71.47 ± 0.84 kJ/mol 118.3688 ± 0.0028 3170-80-7*0 1,1-Dichloroethane CH3CHCl2 (g) -120.32 -133.10 ± 0.44 kJ/mol 98.9586 ± 0.0024 75-34-3*0 Bromobenzene C6H5Br (g) 126.6 104.6 ± 1.3 kJ/mol 157.0079 ± 0.0049 108-86-1*0 Benzaldehyde C6H5C(O)H (g) -19.38 -37.18 ± 0.92 kJ/mol 106.1219 ± 0.0056 100-52-7*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 Ammonium [NH4]+ (g) 643.03 631.72 ± 0.21 kJ/mol 18.03795 ± 0.00029 14798-03-9*0 Azanide [NH2]- (g) 114.78 111.91 ± 0.30 kJ/mol 16.02317 ± 0.00016 17655-31-1*0 Aminooxy NH2O (g) 70.93 64.33 ± 0.76 kJ/mol 32.02202 ± 0.00034 13408-29-2*0 Hydroxyamidogen HNOH (g, trans) 101.6 94.7 ± 1.1 kJ/mol 32.02202 ± 0.00034 13940-32-4*1 Nitrate [ON(O)O]- (g) -300.17 -306.64 ± 0.60 kJ/mol 62.00549 ± 0.00090 14797-55-8*0 Cyanogen iodide ICN (g) 222.7 222.1 ± 1.6 kJ/mol 152.92191 ± 0.00080 506-78-5*0 Formyl anion [HCO]- (g) 11.59 11.98 ± 0.44 kJ/mol 29.01859 ± 0.00086 57340-31-5*0 Hypofluorite [FO]- (g) -108.84 -108.67 ± 0.48 kJ/mol 34.99835 ± 0.00030 12763-66-5*0 2-Propynylidyne CCCH (g) 717.99 722.34 ± 0.82 kJ/mol 37.0400 ± 0.0024 53590-28-6*0 Cyclopentane CH2(CH2CH2CH2CH2) (g) -43.96 -76.53 ± 0.41 kJ/mol 70.1329 ± 0.0041 287-92-3*0 Ethoxy CH3CH2O (g, A 2A') 5.77 -8.67 ± 0.48 kJ/mol 45.0605 ± 0.0017 2154-50-9*52 Chloromethylene CHCl (g, singlet) 320.26 320.54 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*2 Dibromomethane CH2Br2 (g) 25.2 3.8 ± 1.1 kJ/mol 173.8346 ± 0.0022 74-95-3*0 Trifluoromethylium [CF3]+ (g) 409.29 406.08 ± 0.48 kJ/mol 69.00536 ± 0.00080 18851-76-8*0 Phenide [C6H5]- (g) 244.38 230.95 ± 0.39 kJ/mol 77.1044 ± 0.0048 30922-78-2*0 3-Buten-2-one CH3C(O)CHCH2 (g, trans) -95.61 -111.85 ± 0.88 kJ/mol 70.0898 ± 0.0032 78-94-4*1 Chloronium [HClH]+ (g) 881.3 878.2 ± 1.1 kJ/mol 37.46803 ± 0.00091 36658-55-6*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) -583.71 -589.59 ± 0.51 kJ/mol 195.91038 ± 0.00080 2314-97-8*0 Nitrogen atom cation N+ (g) 1872.907 1875.689 ± 0.024 kJ/mol 14.006191 ± 0.000070 14158-23-7*0 Azido radical NNN (g) 452.22 449.63 ± 0.60 kJ/mol 42.02022 ± 0.00021 12596-60-0*0 Trinitrogen cation [NNN]+ (g) 1519.39 1516.76 ± 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 Hydrazoic acid HNNN (g) 297.86 291.56 ± 0.49 kJ/mol 43.02816 ± 0.00022 7782-79-8*0 Methylene anion [CH2]- (g) 328.17 328.60 ± 0.19 kJ/mol 14.02713 ± 0.00081 50928-07-9*0 Ethanium [C2H7]+ (g, bridged C2) 874.34 858.08 ± 0.62 kJ/mol 31.0764 ± 0.0017 24669-33-8*1 Acetylium [CH3CO]+ (g) 666.52 659.23 ± 0.47 kJ/mol 43.0441 ± 0.0016 15762-07-9*0 Hydroxymethylene HCOH (g, trans) 112.66 108.89 ± 0.28 kJ/mol 30.02598 ± 0.00087 19710-56-6*1 Carbonic acid C(O)(OH)2 (g, cis-cis) -602.74 -612.91 ± 0.75 kJ/mol 62.0248 ± 0.0012 463-79-6*1 Peroxyformate [HC(O)OO]- (g, syn) -341.00 -346.46 ± 0.96 kJ/mol 61.0174 ± 0.0012 104960-05-6*1 Isoprene CH2C(CH3)CHCH2 (g) 96.10 75.58 ± 0.67 kJ/mol 68.1170 ± 0.0040 78-79-5*0 n-Hexane CH3CH2CH2CH2CH2CH3 (g) -130.05 -166.93 ± 0.34 kJ/mol 86.1754 ± 0.0049 110-54-3*0 1-Hydroxyethylium [CH3CHOH]+ (g, anti) 608.82 594.40 ± 0.40 kJ/mol 45.0600 ± 0.0017 18682-96-7*1 Dicarbon monoxide CCO (g, triplet) 377.29 381.33 ± 0.98 kJ/mol 40.0208 ± 0.0016 12071-23-7*1 Hydrogen bromide HBr (aq) -120.97 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*800 Formyloxidanyl HC(O)O (g, 2A1) -125.81 -127.48 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*1 Trimethylamine (CH3)3N (g) 1.17 -27.69 ± 0.92 kJ/mol 59.1103 ± 0.0025 75-50-3*0 1,1,1-Trichloroethane CH3CCl3 (g) -134.34 -144.91 ± 0.48 kJ/mol 133.4033 ± 0.0031 71-55-6*0 Tetrachloroethene CCl2CCl2 (g) -22.4 -23.3 ± 1.1 kJ/mol 165.8322 ± 0.0039 127-18-4*0 Chlorodifluoromethane CHClF2 (g) -476.4 -482.5 ± 1.2 kJ/mol 86.4681 ± 0.0012 75-45-6*0 Fluoromethylene CHF (g, singlet) 148.37 148.66 ± 0.43 kJ/mol 32.01704 ± 0.00080 13453-52-6*2 Fluoroformyl FCO (g) -176.63 -176.05 ± 0.37 kJ/mol 47.00850 ± 0.00085 1871-24-5*0 2-Bromoethanol BrCH2CH2OH (g) -196.48 -220.55 ± 0.55 kJ/mol 124.9645 ± 0.0019 540-51-2*0 Propionaldehyde CH3CH2CHO (g) -171.38 -186.78 ± 0.25 kJ/mol 58.0791 ± 0.0025 123-38-6*0 Bromonium [HBrH]+ (g) 925.0 914.2 ± 1.5 kJ/mol 81.9193 ± 0.0010 36658-54-5*0 Hydrazine NH2NH2 (g) 111.57 97.41 ± 0.49 kJ/mol 32.04524 ± 0.00031 302-01-2*0 Methanide [CH3]- (g) 141.07 137.62 ± 0.25 kJ/mol 15.03507 ± 0.00083 15194-58-8*0 Methyliumyl [CH2]+ (g) 1393.20 1394.06 ± 0.11 kJ/mol 14.02603 ± 0.00081 15091-72-2*0 Hydrogen chloride HCl (aq) -166.991 ± 0.023 kJ/mol 36.46064 ± 0.00090 7647-01-0*800 Ethylidene CH3CH (g, singlet) 373.80 366.57 ± 0.87 kJ/mol 28.0532 ± 0.0016 4218-50-2*2 Vinyl anion [CH2CH]- (g) 236.91 232.49 ± 0.86 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) 763.54 751.57 ± 0.66 kJ/mol 30.04865 ± 0.00085 488821-23-4*0 2-Butyne CH3CCCH3 (g) 159.36 146.39 ± 0.58 kJ/mol 54.0904 ± 0.0032 503-17-3*0 1-Methylethenyl CH3CCH2 (g) 262.99 252.59 ± 0.77 kJ/mol 41.0718 ± 0.0024 15552-77-9*0 Trioxidanide [HOOO]- (g, gauche) -120.0 -123.1 ± 1.6 kJ/mol 49.00669 ± 0.00090 89965-38-8*2 trans-2-Butene CH3CHCHCH3 (g, trans) 9.40 -11.17 ± 0.41 kJ/mol 56.1063 ± 0.0032 624-64-6*0 1-Hydroxyethyl CH3CHOH (g, gauche-syn) -40.71 -54.18 ± 0.93 kJ/mol 45.0605 ± 0.0017 2348-46-1*2 Protonated oxirane [(CH2CH2)OH]+ (g) 725.29 709.12 ± 0.66 kJ/mol 45.0600 ± 0.0017 *38607-31-7*0 Ketenyl HCCO (g) 177.13 178.24 ± 0.59 kJ/mol 41.0287 ± 0.0016 51095-15-9*0 Methanediol CH2(OH)2 (g, conrot gauche) -379.39 -393.59 ± 0.93 kJ/mol 48.0413 ± 0.0010 463-57-0*1 Methoxyethane CH3CH2OCH3 (g) -194.06 -216.95 ± 0.48 kJ/mol 60.0950 ± 0.0025 540-67-0*0 Methyl formate HC(O)OCH3 (g, anti) -326.6 -339.1 ± 1.4 kJ/mol 60.0520 ± 0.0017 107-31-3*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) -55.0 -61.0 ± 1.1 kJ/mol 65.4787 ± 0.0012 147139-06-8*1 1,1-Dichloroethene CH2CCl2 (g) 8.93 2.94 ± 0.49 kJ/mol 96.9427 ± 0.0024 75-35-4*0 Dichlorodifluoromethane CF2Cl2 (g) -490.39 -495.15 ± 0.97 kJ/mol 120.9129 ± 0.0020 75-71-8*0 Fluorodichloromethane CHFCl2 (g) -278.7 -284.1 ± 1.3 kJ/mol 102.9224 ± 0.0020 75-43-4*0 Difluoromethylene CF2 (g, singlet) -193.93 -193.46 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*2 Fluoromethylene CHF (g, triplet) 210.35 210.69 ± 0.66 kJ/mol 32.01704 ± 0.00080 13453-52-6*1 Hydrogen peroxide cation [H2O2]+ (g, trans) 897.75 890.77 ± 0.37 kJ/mol 34.01413 ± 0.00062 12325-10-9*1 Formyl fluoride CHFO (g) -378.65 -382.24 ± 0.31 kJ/mol 48.01644 ± 0.00086 1493-02-3*0 Benzyl C6H5CH2 (g) 229.92 211.10 ± 0.61 kJ/mol 91.1305 ± 0.0056 2154-56-5*0 Methyl nitrite CH3ONO (g, cis) -55.67 -67.45 ± 0.46 kJ/mol 61.0401 ± 0.0010 624-91-9*2 Chloro hypochlorite ClOCl (g) 79.78 77.97 ± 0.36 kJ/mol 86.9048 ± 0.0018 7791-21-1*0 Chlorooxy hypochlorite ClOOCl (g) 134.56 131.32 ± 0.56 kJ/mol 102.9042 ± 0.0019 12292-23-8*0 Peroxyhypochlorous acid HOOCl (g) 3.94 -1.33 ± 0.95 kJ/mol 68.4594 ± 0.0011 67952-07-2*0 Hypoiodite [IO]- (g) -102.48 -104.29 ± 0.88 kJ/mol 142.90442 ± 0.00030 15065-65-3*0 Dichloride [Cl2]- (g) -229.8 -228.7 ± 1.4 kJ/mol 70.9059 ± 0.0018 12595-89-0*0 Dinitrogen cation [N2]+ (g) 1503.311 1503.312 ± 0.000 kJ/mol 28.01293 ± 0.00014 13966-04-6*0 Chlorine atom cation Cl+ (g) 1370.806 1372.602 ± 0.0011 kJ/mol 35.45215 ± 0.00090 24203-47-2*0 Carbon dioxide cation [CO2]+ (g) 936.092 936.927 ± 0.017 kJ/mol 44.00895 ± 0.00100 12181-61-2*0 Ammonium [NH4]+ (aq) -133.075 ± 0.056 kJ/mol 18.03795 ± 0.00029 14798-03-9*800 Hydrazino NH2NH (g) 234.81 224.29 ± 0.78 kJ/mol 31.03730 ± 0.00025 13598-46-4*0 Methylidyne anion [CH]- (g) 475.75 479.07 ± 0.22 kJ/mol 13.01919 ± 0.00080 28604-54-8*0 Methylamidogen CH3NH (g) 187.21 176.56 ± 0.49 kJ/mol 30.04920 ± 0.00085 15622-51-2*0 Hydrogen isocyanide cation [HNC]+ (g) 1352.9 1352.9 ± 1.3 kJ/mol 27.02483 ± 0.00081 74158-11-5*0 iso-Propylium [CH3CHCH3]+ (g) 822.93 805.85 ± 0.25 kJ/mol 43.0871 ± 0.0024 19252-53-0*0 n-Propylide [CH3CH2CH2]- (g) 122.9 105.3 ± 1.2 kJ/mol 43.0882 ± 0.0024 59513-13-2*0 1,2-Propadienyl anion [CH2CCH]- (g) 265.67 262.61 ± 0.71 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 Chlorine pentafluoride FCl(F)(F)(F)F (g) -226.1 -234.2 ± 1.7 kJ/mol 130.44472 ± 0.00090 13637-63-3*0 t-Butyl (CH3)3C (g) 75.61 50.32 ± 0.66 kJ/mol 57.1143 ± 0.0033 1605-73-8*0 neo-Pentane C(CH3)4 (g) -134.62 -167.50 ± 0.40 kJ/mol 72.1488 ± 0.0041 463-82-1*0 2-Hydroxyethyl CH2CH2OH (g, gauche-anti) -10.21 -22.84 ± 0.91 kJ/mol 45.0605 ± 0.0017 4422-54-2*2 Ketene CH2CO (g, triplet) 182.3 177.3 ± 1.2 kJ/mol 42.0367 ± 0.0016 463-51-4*1 Methanediol CH2(OH)2 (g, disrot gauche) -369.09 -382.24 ± 0.96 kJ/mol 48.0413 ± 0.0010 463-57-0*2 Methoxyethene CH2CHOCH3 (g, cis) -88.9 -106.7 ± 1.1 kJ/mol 58.0791 ± 0.0025 107-25-5*2 Methyl acetate CH3C(O)OCH3 (g, anti) -363.3 -382.1 ± 1.2 kJ/mol 74.0785 ± 0.0025 79-20-9*2 (Methylamino)methyl CH3NHCH2 (g) 167.57 151.12 ± 0.97 kJ/mol 44.0758 ± 0.0017 31277-24-4*0 Dimethylamidogen (CH3)2N (g) 173.7 156.4 ± 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) -32.72 -41.87 ± 0.60 kJ/mol 198.2728 ± 0.0030 75-62-7*0 Hydroperoxonium [H2OOH]+ (g, trans) 738.1 727.8 ± 1.2 kJ/mol 35.02207 ± 0.00064 70850-26-9*1 Chloromethylidyne CCl (g) 430.42 434.17 ± 0.67 kJ/mol 47.4634 ± 0.0012 3889-76-7*0 Chloromethanol CH2(Cl)OH (g) -232.4 -242.7 ± 1.2 kJ/mol 66.4866 ± 0.0013 15454-33-8*0 Chloromethoxy CH2(Cl)O (g) -12.1 -18.9 ± 1.1 kJ/mol 65.4787 ± 0.0012 114282-89-2*0 Tetraiodomethane CI4 (g) 332.0 326.9 ± 4.1 kJ/mol 519.62858 ± 0.00081 507-25-5*0 2-Chloroethanol ClCH2CH2OH (g) -249.85 -266.56 ± 0.59 kJ/mol 80.5132 ± 0.0019 107-07-3*0 Carbon suboxide OCCCO (g) -94.9 -92.8 ± 1.2 kJ/mol 68.0309 ± 0.0025 504-64-3*0 o-Benzyne C6H4 (g, singlet) 468.03 459.11 ± 0.88 kJ/mol 76.0960 ± 0.0048 462-80-6*2 Tropyl CH(CHCHCHCHCHCH) (g) 295.6 278.2 ± 1.1 kJ/mol 91.1305 ± 0.0056 3551-27-7*0 Acetonyl CH3C(O)CH2 (g) -19.10 -31.81 ± 0.98 kJ/mol 57.0712 ± 0.0024 3122-07-4*0 Bromanylium Br+ (g) 1257.774 1251.712 ± 0.056 kJ/mol 79.90345 ± 0.00100 22541-56-6*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 Oxoammoniumyl [HNO]+ (g) 1092.46 1089.53 ± 0.67 kJ/mol 31.01353 ± 0.00032 63559-87-5*0 Peroxynitrous acid HOONO (g, trans, perp) 7.77 0.69 ± 0.41 kJ/mol 63.01288 ± 0.00091 14691-52-2*1 Carbon atom anion C- (g) 589.624 594.770 ± 0.048 kJ/mol 12.01125 ± 0.00080 14337-00-9*0 Water dimer (H2O)2 (g) -491.083 -499.123 ± 0.052 kJ/mol 36.03056 ± 0.00066 25655-83-8*0 Difluoride [F2]- (g) -291.0 -290.2 ± 1.5 kJ/mol 37.9973550 ± 0.0000010 12184-85-9*0 Ethylidyne CH3C (g) 508.54 504.84 ± 0.80 kJ/mol 27.0452 ± 0.0016 67624-57-1*0 Hydrogen fluoride HF (aq, 20 H2O) -321.03 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*818 Methylamidogen anion [CH3NH]- (g) 144.89 134.06 ± 0.67 kJ/mol 30.04975 ± 0.00085 54448-39-4*0 Iminomethyl cation [HCNH]+ (g) 953.3 949.3 ± 1.4 kJ/mol 28.03277 ± 0.00082 196216-36-1*0 Fluoronium [HFH]+ (g, singlet) 774.10 771.16 ± 0.88 kJ/mol 21.01373 ± 0.00014 12206-67-6*2 Chloroacetylene HCCCl (g) 228.13 228.99 ± 0.72 kJ/mol 60.4820 ± 0.0018 593-63-5*0 Cyanomethyl CH2CN (g) 263.2 260.3 ± 1.1 kJ/mol 40.0440 ± 0.0016 2932-82-3*0 Fluoroacetylene HCCF (g) 104.93 105.65 ± 0.41 kJ/mol 44.0277 ± 0.0016 2713-09-9*0 Methylperoxy anion [CH3OO]- (g) -89.96 -100.10 ± 0.65 kJ/mol 47.0339 ± 0.0010 35683-44-4*0 1-Propenyl CH3CHCH (g, cis) 278.23 267.39 ± 0.78 kJ/mol 41.0718 ± 0.0024 6067-68-1*2 Propylidyne CH3CH2C (g, doublet) 492.5 482.8 ± 1.2 kJ/mol 41.0718 ± 0.0024 85056-54-8*1 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 1-Butyne CH3CH2CCH (g) 179.43 165.84 ± 0.67 kJ/mol 54.0904 ± 0.0032 107-00-6*0 iso-Pentane CH3CH2CH(CH3)2 (g) -119.16 -153.21 ± 0.44 kJ/mol 72.1488 ± 0.0041 78-78-4*0 2-Hydrotrioxy OO(H)O (g) 299.6 293.9 ± 1.2 kJ/mol 49.00614 ± 0.00090 *12500-78-6*0 Oxoethanide [CH3CO]- (g) -44.0 -49.6 ± 1.3 kJ/mol 43.0452 ± 0.0016 78944-68-0*0 Oxirene O(CHCH) (g, singlet) 272.91 270.76 ± 0.96 kJ/mol 42.0367 ± 0.0016 157-18-6*2 Ethynol HCCOH (g, singlet) 95.3 92.8 ± 1.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*2 Trioxidane HOOOH (g, cis) -72.75 -81.24 ± 0.83 kJ/mol 50.01408 ± 0.00091 14699-99-1*2 Hydroxyformyl HOCO (g, cis) -174.36 -177.39 ± 0.53 kJ/mol 45.0174 ± 0.0010 2564-86-5*2 Hydroxyformyl anion [HOCO]- (g, cis) -319.52 -322.10 ± 0.60 kJ/mol 45.0180 ± 0.0010 78944-70-4*2 Ethoxyethane CH3CH2OCH2CH3 (g) -222.67 -250.09 ± 0.81 kJ/mol 74.1216 ± 0.0033 60-29-7*0 Acetic acid CH3C(O)OH (g, anti) -397.55 -411.33 ± 0.89 kJ/mol 60.0520 ± 0.0017 64-19-7*2 Acetone enol CH3C(OH)CH2 (g, syn) -151.8 -169.2 ± 1.1 kJ/mol 58.0791 ± 0.0025 29456-04-0*1 Acetate [CH3C(O)O]- (g) -496.4 -505.5 ± 1.2 kJ/mol 59.0446 ± 0.0017 71-50-1*0 (Dimethylamino)methyl (CH3)2NCH2 (g) 165.1 142.0 ± 1.4 kJ/mol 58.1024 ± 0.0025 30208-47-0*0 Chloromethide [CH2Cl]- (g) 56.3 53.0 ± 2.0 kJ/mol 49.4798 ± 0.0012 60291-29-4*0 Hexachloroethane CCl3CCl3 (g) -147.0 -149.4 ± 1.3 kJ/mol 236.7376 ± 0.0056 67-72-1*0 cis-1,2-Dichloroethene CHClCHCl (g, cis) 3.46 -2.54 ± 0.54 kJ/mol 96.9427 ± 0.0024 156-59-2*0 Chlorodioxidanyl ClOO (g) 103.91 102.82 ± 0.37 kJ/mol 67.4515 ± 0.0011 17376-09-9*0 Dichloroacetylene ClCCCl (g) 230.04 233.35 ± 0.95 kJ/mol 94.9268 ± 0.0024 7572-29-4*0 Chloric acid HOCl(O)O (g) 2.1 -5.0 ± 1.6 kJ/mol 84.4588 ± 0.0013 7790-93-4*0 Fluorotrichloromethane CCl3F (g) -286.4 -289.6 ± 1.2 kJ/mol 137.3672 ± 0.0028 75-69-4*0 Difluoromethylene CF2 (g) -193.93 -193.46 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*0 Perchloryl OCl(O)O (g) 191.68 186.01 ± 0.61 kJ/mol 83.4509 ± 0.0013 13932-10-0*0 Hexafluoroethane CF3CF3 (g) -1334.9 -1343.2 ± 1.1 kJ/mol 138.0118 ± 0.0016 76-16-4*0 Chlorate [OCl(O)O]- (g) -207.3 -212.8 ± 1.6 kJ/mol 83.4514 ± 0.0013 14866-68-3*0 1,1-Difluoroethane CHF2CH3 (g) -489.17 -502.89 ± 0.56 kJ/mol 66.0500 ± 0.0016 75-37-6*0 1,1-Difluoroethene CH2CF2 (g) -343.57 -350.63 ± 0.94 kJ/mol 64.0341 ± 0.0016 75-38-7*0 2-Fluoroethanol FCH2CH2OH (g) -405.71 -422.95 ± 0.99 kJ/mol 64.0589 ± 0.0017 371-62-0*0 Benzylide [C6H5CH2]- (g) 141.76 122.85 ± 0.44 kJ/mol 91.1310 ± 0.0056 18860-15-6*0 Ethylbenzene C6H5CH2CH3 (g) 58.18 29.72 ± 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 Acetonate [CH3C(O)CH2]- (g) -187.92 -201.47 ± 0.98 kJ/mol 57.0717 ± 0.0024 24262-31-5*0 Propadienone CH2CCO (g) 131.96 130.33 ± 0.79 kJ/mol 54.0474 ± 0.0024 61244-93-7*0 Iodine monobromide IBr (g) 49.715 40.768 ± 0.067 kJ/mol 206.8085 ± 0.0010 7789-33-5*0 Dioxaziridinyl N(OO) (g) 355.1 352.6 ± 1.4 kJ/mol 46.00554 ± 0.00060 66252-29-7*0 Nitroxyl ON(O)O (g) 79.40 74.14 ± 0.19 kJ/mol 62.00494 ± 0.00090 12033-49-7*0 Isodiazene NNH2 (g) 307.52 300.44 ± 0.75 kJ/mol 30.02936 ± 0.00020 28647-38-3*0 Nitryl hydride HN(O)O (g) -37.1 -44.1 ± 1.5 kJ/mol 47.01348 ± 0.00061 90266-90-3*0 Carbon atom cation C+ (g) 1797.853 1803.451 ± 0.048 kJ/mol 12.01015 ± 0.00080 14067-05-1*0 Oxidanylium [OH]+ (g) 1293.189 1293.218 ± 0.035 kJ/mol 17.00679 ± 0.00031 12259-29-9*0 Methyliumylidene [CH]+ (g) 1619.758 1623.101 ± 0.055 kJ/mol 13.01809 ± 0.00080 24361-82-8*0 Ethylidyne CH3C (g, doublet) 508.54 504.84 ± 0.80 kJ/mol 27.0452 ± 0.0016 67624-57-1*1 Trioxidanyl HOOO (g, trans) 25.32 23.33 ± 0.13 kJ/mol 49.00614 ± 0.00090 12500-78-6*1 Methyleneamidogen CH2N (g) 241.94 238.29 ± 0.67 kJ/mol 28.03332 ± 0.00082 15845-29-1*0 (E)-Iminomethyl HCNH (g, trans) 275.82 272.21 ± 0.71 kJ/mol 28.03332 ± 0.00082 54980-10-8*0 Hydrogen isocyanide HNC (g) 191.98 192.36 ± 0.37 kJ/mol 27.02538 ± 0.00081 6914-07-4*0 Nitrilomethylium [CN]+ (g) 1776.9 1780.4 ± 1.3 kJ/mol 26.01689 ± 0.00080 12539-57-0*0 Dioxygen anion [O2]- (g) -43.36 -42.72 ± 0.17 kJ/mol 31.99935 ± 0.00060 11062-77-4*0 Methanol cation [CH3OH]+ (g) 856.79 846.47 ± 0.33 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 Carbonic acid C(O)(OH)2 (g, cis-trans) -596.87 -606.99 ± 0.83 kJ/mol 62.0248 ± 0.0012 463-79-6*2 Carbonic acid C(O)(OH)2 (g, trans-trans) -561.65 -570.49 ± 0.97 kJ/mol 62.0248 ± 0.0012 463-79-6*3 Hydrogen carbonate [HOC(O)O]- (g) -720.5 -726.9 ± 1.4 kJ/mol 61.0174 ± 0.0012 71-52-3*0 n-Propylium [CH3CH2CH2]+ (g) 856.97 838.69 ± 0.86 kJ/mol 43.0871 ± 0.0024 19252-52-9*0 Allyl anion [CH2CHCH2]- (g) 134.14 123.13 ± 0.24 kJ/mol 41.0723 ± 0.0024 1724-46-5*0 Cyclopropyl CH(CH2CH2) (g) 303.3 290.7 ± 1.5 kJ/mol 41.0718 ± 0.0024 2417-82-5*0 Propylidyne CH3CH2C (g, quartet) 624.6 613.0 ± 1.3 kJ/mol 41.0718 ± 0.0024 85056-54-8*2 1-Propynylide [CH3CC]- (g) 264.22 260.63 ± 0.84 kJ/mol 39.0565 ± 0.0024 36147-87-2*0 1-Propen-1-yl-3-ylidene CHCHCH (g, c-c quartet) 657.4 653.9 ± 1.5 kJ/mol 39.0559 ± 0.0024 84654-90-0*11 sec-Butyl CH3CH2CHCH3 (g) 90.85 66.08 ± 0.95 kJ/mol 57.1143 ± 0.0033 2348-55-2*0 Cyclohexane CH2(CH2CH2CH2CH2CH2) (g) -83.56 -123.13 ± 0.36 kJ/mol 84.1595 ± 0.0049 110-82-7*0 Oxirene O(CHCH) (g, t-triplet) 387.9 383.7 ± 1.7 kJ/mol 42.0367 ± 0.0016 157-18-6*11 Oxiranylidene CH2(CO) (g, singlet) 213.5 209.3 ± 1.4 kJ/mol 42.0367 ± 0.0016 50983-85-2*2 Oxoethylidene HCC(O)H (g, syn-triplet) 261.2 257.7 ± 1.6 kJ/mol 42.0367 ± 0.0016 39920-84-8*12 Dioxirane CH2(OO) (g) 9.43 1.76 ± 0.55 kJ/mol 46.0254 ± 0.0010 157-26-6*0 Hydroxyde [OH]- (aq) -230.013 ± 0.029 kJ/mol 17.00789 ± 0.00031 14280-30-9*800 Hydroxyformyl anion [HOCO]- (g, trans) -313.70 -315.50 ± 0.61 kJ/mol 45.0180 ± 0.0010 78944-70-4*1 Ethoxyethene CH2CHOCH2CH3 (g, cis-trans) -117.3 -141.0 ± 1.5 kJ/mol 72.1057 ± 0.0033 109-92-2*2 Cyanic acid HOCN (g) -12.20 -14.91 ± 0.49 kJ/mol 43.02478 ± 0.00086 420-05-3*0 Isofulminic acid HONC (g) 235.38 233.67 ± 0.48 kJ/mol 43.02478 ± 0.00086 506-85-4*0 Acetic acid CH3C(O)OH (g) -418.66 -432.79 ± 0.45 kJ/mol 60.0520 ± 0.0017 64-19-7*0 Bromochlorane BrCl (g) 21.879 14.435 ± 0.060 kJ/mol 115.3567 ± 0.0013 13863-41-7*0 Methoxyoxomethyl CH3OCO (g, anti-staggered) -152.6 -160.6 ± 1.5 kJ/mol 59.0440 ± 0.0017 16481-04-2*1 (Formyloxy)methyl HC(O)OCH2 (g, syn) -151.8 -159.9 ± 1.3 kJ/mol 59.0440 ± 0.0017 3122-12-1*1 Carboxymethyl CH2C(O)OH (g, syn) -227.3 -237.1 ± 1.2 kJ/mol 59.0440 ± 0.0017 2887-46-9*1 Ethylene glycol (CH2OH)2 (g) -369.79 -389.42 ± 0.49 kJ/mol 62.0678 ± 0.0018 107-21-1*0 (Methylamino)methyl cation [CH3NHCH2]+ (g) 728.82 710.20 ± 0.99 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 Oxygen atom O (g, singlet) 436.666 438.523 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*2 Dichloromethyl CHCl2 (g) 92.07 90.15 ± 0.88 kJ/mol 83.9240 ± 0.0020 3474-12-2*0 Chloromethyl CH2Cl (g) 118.33 115.26 ± 0.87 kJ/mol 49.4793 ± 0.0012 6806-86-6*0 Methyl hypochlorite CH3OCl (g) -53.1 -63.1 ± 1.4 kJ/mol 66.4866 ± 0.0013 593-78-2*0 1,2-Dichloroethane CH2ClCH2Cl (g) -118.57 -130.51 ± 0.54 kJ/mol 98.9586 ± 0.0024 107-06-2*0 Ozonide [OOO]- (g) -58.48 -60.84 ± 0.21 kJ/mol 47.99875 ± 0.00090 12596-80-4*0 Trioxygen difluoride FOOOF (g, trans) 112.2 106.5 ± 1.1 kJ/mol 85.99501 ± 0.00090 16829-28-0*1 Chlorofluoromethane CH2FCl (g) -256.3 -263.4 ± 1.3 kJ/mol 68.4777 ± 0.0012 593-70-4*0 Difluoromethyliumyl [CF2]+ (g) 908.14 908.56 ± 0.78 kJ/mol 50.00696 ± 0.00080 54250-40-7*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 -20.52 ± 0.49 kJ/mol 63.4628 ± 0.0012 2602-42-8*0 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g, syn) 49.1 42.2 ± 1.9 kJ/mol 84.4588 ± 0.0013 928652-99-7*1 1,3-Butadiyne HCCCCH (g) 458.33 460.05 ± 0.82 kJ/mol 50.0587 ± 0.0032 460-12-8*0 o-Benzyne anion [C6H4]- (g) 413.72 404.61 ± 0.97 kJ/mol 76.0965 ± 0.0048 100569-88-8*0 Cycloheptene CH2(CHCHCH2CH2CH2CH2 (g) 28.12 -9.11 ± 0.75 kJ/mol 96.1702 ± 0.0057 628-92-2*0 Cycloheptatriene CH2(CHCHCHCHCHCH) (g) 206.93 183.51 ± 0.95 kJ/mol 92.1384 ± 0.0056 544-25-2*0 Fluorobenzene cation [C6H5F]+ (g) 788.90 773.88 ± 0.89 kJ/mol 96.1018 ± 0.0048 34468-25-2*0 Nitrosobenzene C6H5NO (g) 215.7 198.7 ± 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 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 Dinitrogen pentoxide O2NONO2 (g) 24.43 14.86 ± 0.35 kJ/mol 108.0105 ± 0.0015 10102-03-1*0 Diazenyl NNH (g) 252.17 249.25 ± 0.47 kJ/mol 29.02142 ± 0.00016 36882-13-0*0 Peroxynitric acid HOON(O)O (g) -42.6 -53.0 ± 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 Trioxidanylium [HOOO]+ (g, trans) 1070.6 1064.3 ± 1.4 kJ/mol 49.00559 ± 0.00090 74241-49-9*1 Methane cation [CH4]+ (g) 1150.83 1144.45 ± 0.25 kJ/mol 16.04191 ± 0.00085 20741-88-2*0 Chlorine difluoride FClF (g) -47.1 -48.2 ± 1.4 kJ/mol 73.44951 ± 0.00090 24801-48-7*0 Ethanium [C2H7]+ (g) 874.34 858.10 ± 0.62 kJ/mol 31.0764 ± 0.0017 24669-33-8*0 Bifluoride [(HF)(F)]- (g, singlet) -481.8 -480.6 ± 1.9 kJ/mol 39.005295 ± 0.000070 *18130-74-0*2 Acetylene cation [HCCH]+ (g) 1328.83 1328.17 ± 0.13 kJ/mol 26.0367 ± 0.0016 25641-79-6*0 Vinylidene CCH2 (g) 411.24 412.16 ± 0.33 kJ/mol 26.0373 ± 0.0016 2143-69-3*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 Vinylidene anion [CCH2]- (g) 364.13 363.95 ± 0.63 kJ/mol 26.0378 ± 0.0016 66295-36-1*0 Ethynylium [CCH]+ (g) 1687.57 1690.91 ± 0.16 kJ/mol 25.0288 ± 0.0016 16456-59-0*0 Bromide Br- (aq) -120.97 ± 0.15 kJ/mol 79.90455 ± 0.00100 24959-67-9*800 Methyloxoniumylidene [CH3O]+ (g) 1062.70 1054.89 ± 0.75 kJ/mol 31.03337 ± 0.00088 58157-09-8*0 Hydrogen chloride HCl (aq, 100 H2O) -165.757 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*828 Hydroxymethylene HCOH (g, cis) 131.09 127.34 ± 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 Azide [NNN]- (g) 193.50 190.00 ± 0.91 kJ/mol 42.02077 ± 0.00021 14343-69-2*0 Oxoniumyl ion [H2O]+ (g) 978.467 975.564 ± 0.028 kJ/mol 18.01473 ± 0.00033 56583-62-1*0 Isoformyl COH (g) 217.26 217.64 ± 0.69 kJ/mol 29.01804 ± 0.00086 71080-92-7*0 Hydrogen fluoride HF (aq, 30 H2O) -321.09 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*820 Dioxidenium [HO2]+ (g) 1110.87 1107.98 ± 0.11 kJ/mol 33.00619 ± 0.00060 12207-52-2*0 1-Methylethylidene CH3CCH3 (g, singlet) 316.5 302.6 ± 2.1 kJ/mol 42.0797 ± 0.0024 40852-89-9*2 Propylidene CH3CH2CH (g, triplet) 349.5 335.8 ± 1.4 kJ/mol 42.0797 ± 0.0024 6700-78-3*1 Allylium [CH2CHCH2]+ (g) 964.59 953.03 ± 0.45 kJ/mol 41.0713 ± 0.0024 1724-44-3*0 1-Propenyl CH3CHCH (g, trans) 280.27 269.44 ± 0.80 kJ/mol 41.0718 ± 0.0024 6067-68-1*1 1H-Triazirin-1-yl N(NN) (g) 585.9 584.1 ± 2.0 kJ/mol 42.02022 ± 0.00021 912535-95-6*0 Propargylium [CH2CCH]+ (g) 1193.45 1190.63 ± 0.38 kJ/mol 39.0554 ± 0.0024 21540-27-2*0 Cycloprop-1-enyl CH2(CHC) (g) 527.53 523.14 ± 0.67 kJ/mol 39.0559 ± 0.0024 19528-44-0*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 Cyclobutane CH2(CH2CH2CH2) (g) 52.36 27.82 ± 0.41 kJ/mol 56.1063 ± 0.0032 287-23-0*0 Cyclopentene CH2(CH2CHCHCH2) (g) 59.36 35.10 ± 0.46 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) -161.40 -208.23 ± 0.67 kJ/mol 114.2285 ± 0.0065 111-65-9*0 Iodide I- (aq) -56.827 ± 0.089 kJ/mol 126.905019 ± 0.000030 20461-54-5*800 1-Hydroxyethylium [CH3CHOH]+ (g, syn) 610.9 596.5 ± 1.3 kJ/mol 45.0600 ± 0.0017 18682-96-7*2 Ethenol CH2CHOH (g, anti) -108.22 -119.01 ± 0.77 kJ/mol 44.0526 ± 0.0017 557-75-5*2 Vinyl alcohol cation [CH2CHOH]+ (g, anti) 778.9 767.6 ± 1.4 kJ/mol 44.0520 ± 0.0017 57239-63-1*2 Oxiranyl CH2(CHO) (g) 172.6 164.3 ± 1.4 kJ/mol 43.0446 ± 0.0016 31586-84-2*0 Oxiranylium [CH2(CHO)]+ (g, singlet) 901.2 893.2 ± 1.5 kJ/mol 43.0441 ± 0.0016 57789-76-1*2 C=O=C COC (g, triplet) 653.2 657.5 ± 1.7 kJ/mol 40.0208 ± 0.0016 *12071-23-7*1 C=O=C COC (g, singlet) 721.0 725.4 ± 1.7 kJ/mol 40.0208 ± 0.0016 *12071-23-7*2 Oxoethylidene HCC(O)H (g, singlet) 275.5 272.7 ± 1.9 kJ/mol 42.0367 ± 0.0016 39920-84-8*2 Fluoride F- (aq) -334.49 ± 0.16 kJ/mol 18.99895178 ± 0.00000050 16984-48-8*800 Formic acid cation [HC(O)OH]+ (g, syn) 721.90 714.81 ± 0.26 kJ/mol 46.0248 ± 0.0010 50614-05-6*1 Formyloxidanyl HC(O)O (g, 2B2) -122.00 -125.35 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*2 1-Propanol CH3CH2CH2OH (g) -231.42 -255.26 ± 0.25 kJ/mol 60.0950 ± 0.0025 71-23-8*0 Fulminic acid HCNO (g) 170.92 169.46 ± 0.49 kJ/mol 43.02478 ± 0.00086 51060-05-0*0 Water anion [(H)(OH)]- (g, vdW ?) 31.3 29.8 ± 3.1 kJ/mol 18.01583 ± 0.00033 12259-30-2*100 (Formyloxy)methyl HC(O)OCH2 (g, anti) -136.2 -144.4 ± 1.4 kJ/mol 59.0440 ± 0.0017 3122-12-1*2 Carboxymethyl CH2C(O)OH (g, anti) -206.5 -215.8 ± 1.3 kJ/mol 59.0440 ± 0.0017 2887-46-9*2 Dimethylamide [(CH3)2N]- (g) 122.1 103.7 ± 1.7 kJ/mol 44.0763 ± 0.0017 34285-60-4*0 Chloryl hydride HCl(O)O (g) 197.6 191.2 ± 1.6 kJ/mol 68.4594 ± 0.0011 174365-32-3*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) -144.6 -153.1 ± 1.3 kJ/mol 167.8481 ± 0.0039 630-20-6*0 Pentachloroethyl CCl3CCl2 (g) 26.9 25.0 ± 1.3 kJ/mol 201.2849 ± 0.0048 7094-17-9*0 Oxygen atom O (g, triplet) 246.844 249.229 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*1 Iodomethane CH3I (l) -12.25 ± 0.20 kJ/mol 141.93899 ± 0.00083 74-88-4*590 Difluoromethylene CF2 (g, triplet) 43.26 43.97 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*1 Fluoromethyliumylidene [CF]+ (g) 1122.85 1126.06 ± 0.46 kJ/mol 31.00855 ± 0.00080 33412-11-2*0 Iodine atom cation I+ (g) 1115.549 1115.149 ± 0.0062 kJ/mol 126.903921 ± 0.000030 22541-93-1*0 Ethyl iodide CH3CH2I (l) -9.40 -39.27 ± 0.49 kJ/mol 155.9656 ± 0.0016 75-03-6*500 1,2-Difluoroacetylene FCCF (g) 2.86 5.68 ± 0.66 kJ/mol 62.0182 ± 0.0016 689-99-6*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) -97.99 -113.92 ± 0.37 kJ/mol 187.8181 ± 0.0022 593-95-3*0 Benzene C6H6 (cr,l) 50.71 49.17 ± 0.23 kJ/mol 78.1118 ± 0.0048 71-43-2*500 o-Benzyne C6H4 (g) 468.03 459.11 ± 0.88 kJ/mol 76.0960 ± 0.0048 462-80-6*0 Hydrogen difluoride (F)(HF) (g, lin) -198.5 -198.4 ± 1.2 kJ/mol 39.004746 ± 0.000070 12528-21-1*1 m-Benzyne C6H4 (g, singlet) 526.9 518.5 ± 1.2 kJ/mol 76.0960 ± 0.0048 1828-89-3*2 p-Benzyne C6H4 (g, singlet) 587.0 577.5 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*2 Cycloheptane CH2(CH2CH2CH2CH2CH2C (g) -72.81 -118.30 ± 0.53 kJ/mol 98.1861 ± 0.0057 291-64-5*0 Phenoxy C6H5O (g) 71.10 55.81 ± 0.88 kJ/mol 93.1033 ± 0.0048 2122-46-5*0 Benzoyl fluoride C6H5C(O)F (g) -288.1 -304.6 ± 1.5 kJ/mol 124.1124 ± 0.0056 455-32-3*0 Iodobenzene C6H5I (g) 177.7 161.7 ± 1.0 kJ/mol 204.0084 ± 0.0048 591-50-4*0 2-Cyclopropen-1-one OC(CHCH) (g) 163.8 159.9 ± 1.2 kJ/mol 54.0474 ± 0.0024 2961-80-0*0 Hydroxyaminylium [HNOH]+ (g, trans) 1019.6 1012.4 ± 2.5 kJ/mol 32.02147 ± 0.00034 66097-71-0*1 Dioxyamidogen HNOO (g, cis) 240.4 233.8 ± 1.8 kJ/mol 47.01348 ± 0.00061 71843-95-3*2 Peroxynitrous acid HOONO (g, cis, perp) -0.19 -7.24 ± 0.53 kJ/mol 63.01288 ± 0.00091 14691-52-2*2 Dioxiranylidene C(OO) (g) 190.3 191.1 ± 1.4 kJ/mol 44.00950 ± 0.00100 138832-57-2*0 Chlorine difluoride cation [FClF]+ (g) 998.9 996.7 ± 1.7 kJ/mol 73.44896 ± 0.00090 32629-46-2*0 Methylidyne CH (g, doublet) 592.824 596.159 ± 0.099 kJ/mol 13.01864 ± 0.00080 3315-37-5*1 Dinitrogen tetraoxide O2NNO2 (g) 20.15 10.86 ± 0.14 kJ/mol 92.0111 ± 0.0012 10544-72-6*0 Bifluoride [FFH]- (g, triplet) -68.0 -67.6 ± 1.6 kJ/mol 39.005295 ± 0.000070 *18130-74-0*1 Methylammonium [CH3NH3]+ (g) 628.1 609.2 ± 1.4 kJ/mol 32.06453 ± 0.00091 17000-00-9*0 Aminomethylene CHNH2 (g) 245.9 238.1 ± 1.5 kJ/mol 29.04126 ± 0.00083 35430-17-2*0 Methyleneamidogen anion [CH2N]- (g) 192.71 188.96 ± 0.96 kJ/mol 28.03387 ± 0.00082 28892-56-0*0 (Z)-Iminomethyl HCNH (g, cis) 294.50 291.01 ± 0.91 kJ/mol 28.03332 ± 0.00082 54980-11-9*0 Aminomethylidyne CNH2 (g) 371.9 368.3 ± 1.1 kJ/mol 28.03332 ± 0.00082 84654-89-7*0 Oxofluoronium [FO]+ (g) 1342.64 1342.59 ± 0.81 kJ/mol 34.99725 ± 0.00030 12763-67-6*0 Oxywater (H2O)O (g) 64.9 58.4 ± 1.3 kJ/mol 34.01468 ± 0.00062 171363-09-0*0 Oxygen cation monohydrate [(HOH)O]+ (g) 1153.4 1147.9 ± 3.2 kJ/mol 34.01413 ± 0.00062 *31748-17-1*0 Oxygen anion monohydrate [(HOH)O]- (g) -239.0 -244.3 ± 3.0 kJ/mol 34.01523 ± 0.00062 31748-17-1*0 Methyleneoxonium CH2OH2 (g) 152.45 144.13 ± 0.49 kJ/mol 32.04186 ± 0.00090 177788-17-9*0 Hydroxymethylene anion [HCOH]- (g, trans) 147.1 144.1 ± 1.6 kJ/mol 30.02653 ± 0.00087 207914-87-2*1 Hydroxymethyliumylidene [COH]+ (g) 986.02 987.66 ± 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) -265.3 -273.3 ± 1.6 kJ/mol 62.0248 ± 0.0012 107-32-4*2 Hydroxyoxomethoxy HOC(O)O (g) -358.8 -365.0 ± 1.5 kJ/mol 61.0168 ± 0.0012 38330-85-7*0 Hydroperoxycarbonyl HOOCO (g) -72.9 -76.8 ± 1.7 kJ/mol 61.0168 ± 0.0012 153751-35-0*0 Hydrogen fluoride HF (aq, 40 H2O) -321.12 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*821 Propan-1-yl-3-ylidene CH2CH2CH (g, quartet) 554.3 545.6 ± 1.4 kJ/mol 41.0718 ± 0.0024 *50457-59-5*2 Chlorine chlorite ClOClO (g, gauche) 168.6 166.2 ± 1.3 kJ/mol 102.9042 ± 0.0019 105206-44-8*3 Cycloprop-2-enyl CH(CHCH) (g) 490.25 485.70 ± 0.64 kJ/mol 39.0559 ± 0.0024 28933-84-8*0 Cyclopropenylidene C(CHCH) (g) 497.06 496.11 ± 0.46 kJ/mol 38.0480 ± 0.0024 16165-40-5*0 2-Propynylidyne anion [CCCH]- (g) 540.01 544.78 ± 0.84 kJ/mol 37.0406 ± 0.0024 82893-67-2*0 Cyclopropynyl CH(CC) (g) 710.9 715.0 ± 1.1 kJ/mol 37.0400 ± 0.0024 119178-99-3*0 Deuterium atom D (g) 219.804 221.717 ± 0.000 kJ/mol 2.01410177800 ± 0.00000000040 16873-17-9*0 t-Butylium [(CH3)3C]+ (g) 733.89 710.61 ± 0.98 kJ/mol 57.1137 ± 0.0033 14804-25-2*0 t-Butyl anion [(CH3)3C]- (g) 76.4 51.6 ± 1.5 kJ/mol 57.1148 ± 0.0033 65114-21-8*0 iso-Butyl (CH3)2CHCH2 (g) 97.18 73.20 ± 0.76 kJ/mol 57.1143 ± 0.0033 4630-45-9*0 Methylcyclopropane CH3CH(CH2CH2) (g) 47.7 24.5 ± 1.3 kJ/mol 56.1063 ± 0.0032 594-11-6*0 Cyclobutene CH2(CH2CHCH) (g) 177.00 159.95 ± 0.93 kJ/mol 54.0904 ± 0.0032 822-35-5*0 Chlorosyl hydride HClO (g) 141.9 139.1 ± 1.7 kJ/mol 52.46004 ± 0.00095 71572-35-5*0 2-Hydroxyethyl CH2CH2OH (g, staggered-anti) -5.1 -17.5 ± 1.3 kJ/mol 45.0605 ± 0.0017 4422-54-2*3 Vinyl alcohol cation [CH2CHOH]+ (g, syn) 787.12 775.89 ± 0.93 kJ/mol 44.0520 ± 0.0017 57239-63-1*1 Vinoxy CH2CHO (g) 22.62 15.78 ± 0.86 kJ/mol 43.0446 ± 0.0016 6912-06-7*0 Vinoxy cation [CH2CHO]+ (g, triplet) 1020.1 1013.0 ± 1.5 kJ/mol 43.0441 ± 0.0016 *35731-40-9*1 Vinoxide [CH2CHO]- (g) -153.38 -160.43 ± 0.86 kJ/mol 43.0452 ± 0.0016 35731-40-9*0 Oxiranyl anion [CH2(CHO)]- (g, singlet) 121.1 113.1 ± 1.6 kJ/mol 43.0452 ± 0.0016 72722-59-9*2 Aquachlorine cation [ClOH2]+ (g) 821.8 815.0 ± 1.7 kJ/mol 53.46743 ± 0.00096 142599-65-3*0 Acetic acid CH3C(O)OH (aq) -485.17 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*800 COC vdW (CO)(C) (g, triplet) 590.0 598.7 ± 1.7 kJ/mol 40.0208 ± 0.0016 *12071-24-8*1 (E)-Diazene cation [HNNH]+ (g, trans) 1132.46 1125.53 ± 0.66 kJ/mol 30.02881 ± 0.00020 59952-06-6*0 2-Hydrotrioxy cation [OO(H)O]+ (g) 1297.9 1291.3 ± 1.5 kJ/mol 49.00559 ± 0.00090 *74241-49-9*0 Oxirene O(CHCH) (g, c-triplet) 389.8 385.7 ± 1.7 kJ/mol 42.0367 ± 0.0016 157-18-6*12 (Z)-Diazene HNNH (g, cis) 228.81 221.68 ± 0.64 kJ/mol 30.02936 ± 0.00020 15626-42-3*0 Triiodide [I3]- (aq) -51.25 ± 0.80 kJ/mol 380.713959 ± 0.000090 14900-04-0*800 Formyloxoniumylidene [HC(O)O]+ (g) 1017.2 1013.7 ± 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) -249.47 -273.57 ± 0.38 kJ/mol 60.0950 ± 0.0025 67-63-0*0 2-Hydrotrioxy anion [OO(H)O]- (g) 27.5 21.8 ± 1.4 kJ/mol 49.00669 ± 0.00090 *89965-38-8*0 Cyanate [NCO]- (g) -221.10 -221.32 ± 0.54 kJ/mol 42.01739 ± 0.00086 661-20-1*0 Nitrosomethylidyne CNO (g) 389.5 390.8 ± 1.5 kJ/mol 42.01684 ± 0.00086 82267-15-0*0 Oxazirinyl C(NO) (g) 449.9 450.7 ± 1.5 kJ/mol 42.01684 ± 0.00086 228850-18-8*0 Hydrogen difluoride cation [FFH]+ (g) 1174.3 1171.3 ± 1.5 kJ/mol 39.004198 ± 0.000070 *126950-54-7*0 2-Methoxy-2-oxoethyl CH2C(O)OCH3 (g, syn) -203.4 -218.6 ± 1.6 kJ/mol 73.0706 ± 0.0025 54668-31-4*1 (Acetyloxy)methyl CH3C(O)OCH2 (g, syn) -200.6 -214.3 ± 1.6 kJ/mol 73.0706 ± 0.0025 2887-49-2*1 Dimethylmethyleneammonium [(CH3)2NCH2]+ (g) 695.9 670.8 ± 1.4 kJ/mol 58.1018 ± 0.0025 28149-27-1*0 Trichloromethide [CCl3]- (g) -125.0 -124.4 ± 2.0 kJ/mol 118.3693 ± 0.0028 14478-07-0*0 1,1,2,2-Tetrachloroethane CHCl2CHCl2 (g) -146.9 -156.3 ± 1.5 kJ/mol 167.8481 ± 0.0039 79-34-5*0 1,1,2,2-Tetrachloroethane CHCl2CHCl2 (cr,l) -173.1 -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) -49.3 ± 1.5 kJ/mol 131.3874 ± 0.0031 79-01-6*590 Tetrachloroethene CCl2CCl2 (l) -63.0 ± 1.1 kJ/mol 165.8322 ± 0.0039 127-18-4*500 Trichloroethene CHClCCl2 (g) -11.4 -14.7 ± 1.5 kJ/mol 131.3874 ± 0.0031 79-01-6*0 Trioxidaniumyl [HOOOH]+ (g, t, t) 925.4 916.2 ± 1.5 kJ/mol 50.01353 ± 0.00091 161321-37-5*2 Bromodichloromethane CHCl2Br (g) -37.7 -49.4 ± 1.3 kJ/mol 163.8280 ± 0.0022 75-27-4*0 Difluorodibromomethane CF2Br2 (g) -366.1 -383.8 ± 1.4 kJ/mol 209.8155 ± 0.0022 75-61-6*0 Dichlorodibromomethane CCl2Br2 (g) 20.6 4.9 ± 1.5 kJ/mol 242.7241 ± 0.0028 594-18-3*0 Difluorobromomethane CHF2Br (g) -410.66 -423.85 ± 0.48 kJ/mol 130.9194 ± 0.0013 1511-62-2*0 Chlorine fluoride cation [ClF]+ (g) 1165.52 1165.70 ± 0.49 kJ/mol 54.45055 ± 0.00090 12432-44-9*0 1,2-Difluoroethane CH2FCH2F (g) -434.53 -447.95 ± 0.82 kJ/mol 66.0500 ± 0.0016 624-72-6*0 Dihydrogen fluoride anion [HFH]- (g, triplet) 133.2 131.9 ± 1.6 kJ/mol 21.01483 ± 0.00014 117339-92-1*1 Fluoro(fluorooxy)methylene FCOF (g, trans) -37.5 -39.1 ± 1.4 kJ/mol 66.00691 ± 0.00085 479587-30-9*1 Perchloric acid HOCl(O)(O)O (g) 13.2 1.8 ± 1.8 kJ/mol 100.4582 ± 0.0015 7601-90-3*0 Hydroxyaminiumyl [NOH]+ (g) 1161.2 1158.3 ± 1.4 kJ/mol 31.01353 ± 0.00032 63559-88-6*0 Phenylium [C6H5]+ (g, triplet) 1251.1 1238.0 ± 1.9 kJ/mol 77.1034 ± 0.0048 17333-73-2*1 Peroxychlorous acid HOOClO (g, syn) 96.2 90.2 ± 2.1 kJ/mol 84.4588 ± 0.0013 177778-92-6*1 Nitrosodioxaziridine ONN(OO) (g, trans) 413.6 407.6 ± 1.8 kJ/mol 76.01168 ± 0.00091 132871-99-9*1 Chlorobenzene cation [C6H5Cl]+ (g) 942.48 928.55 ± 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 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 Nitrobenzene C6H5N(O)O (g) 81.4 61.4 ± 1.4 kJ/mol 123.1094 ± 0.0049 98-95-3*0 Fluorohydrochlorine cation [FClH]+ (g) 975.3 972.3 ± 2.0 kJ/mol 55.45849 ± 0.00090 70110-64-4*0 Methyl nitrite CH3ONO (g) -55.67 -66.34 ± 0.46 kJ/mol 61.0401 ± 0.0010 624-91-9*0 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-trans, syn) -53.8 -70.8 ± 1.6 kJ/mol 70.0898 ± 0.0032 59120-04-6*11 Hydroxyamidogen HNOH (g, cis) 123.5 116.9 ± 1.7 kJ/mol 32.02202 ± 0.00034 13940-32-4*2 Chlorosyl chloride ClClO (g) 134.5 133.2 ± 1.4 kJ/mol 86.9048 ± 0.0018 86825-56-1*0 Ethylene cation [CH2CH2]+ (g) 1075.20 1067.98 ± 0.12 kJ/mol 28.0526 ± 0.0016 34470-02-5*0 Hydroxyimidogen NOH (g) 218.00 215.12 ± 0.89 kJ/mol 31.01408 ± 0.00032 35337-59-8*0 Dibromide [Br2]- (g) -199.2 -213.3 ± 2.0 kJ/mol 159.8085 ± 0.0020 12595-70-9*0 Chloride Cl- (aq) -166.991 ± 0.023 kJ/mol 35.45325 ± 0.00090 16887-00-6*800 Nitrous acid HONO (g, cis) -71.39 -77.74 ± 0.26 kJ/mol 47.01348 ± 0.00061 7782-77-6*2 Iminomethyl anion [HCNH]- (g, trans) 237.4 233.5 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*1 Cyanogen iodide anion [ICN]- (g) 86.5 88.8 ± 8.1 kJ/mol 152.92246 ± 0.00080 1356929-44-6*0 Formaldehyde cation [CH2O]+ (g) 944.859 941.238 ± 0.099 kJ/mol 30.02543 ± 0.00087 54288-05-0*0 Trihydrogen dioxide anion [HOHOH]- (g) -487.5 -495.8 ± 1.1 kJ/mol 35.02317 ± 0.00064 12501-19-8*0 Azanylium [NH2]+ (g) 1266.56 1264.49 ± 0.11 kJ/mol 16.02207 ± 0.00016 15194-15-7*0 Isoformyl anion [COH]- (g, triplet) 267.4 268.0 ± 1.6 kJ/mol 29.01859 ± 0.00086 81747-63-9*2 Dioxygen O2 (g, singlet) 94.410 94.383 ± 0.000 kJ/mol 31.99880 ± 0.00060 7782-44-7*2 Ammonia NH3 (aq, undissoc) -80.886 ± 0.053 kJ/mol 17.03056 ± 0.00022 7664-41-7*1000 Hydroxydioxonitrate [HON(O)O]- (g) -193.2 -197.6 ± 2.4 kJ/mol 63.01343 ± 0.00091 58875-09-5*0 1-Propynyl CH3CC (g) 528.16 525.99 ± 0.84 kJ/mol 39.0559 ± 0.0024 89342-91-6*0 Ammonium nitrate (NH4)NO3 (cr,l) -350.29 -365.26 ± 0.18 kJ/mol 80.04344 ± 0.00095 6484-52-2*500 2-Propen-1-yl-3-ylidene CH2CHC (g) 556.7 554.4 ± 1.3 kJ/mol 39.0559 ± 0.0024 202744-74-9*0 2-Cyclopropen-1-ylium-1-yl [C(CHCH)]+ (g) 1382.0 1381.0 ± 1.1 kJ/mol 38.0474 ± 0.0024 85398-75-0*0 Propynylidene HCCCH (g, cis singlet) 597.6 599.4 ± 1.3 kJ/mol 38.0480 ± 0.0024 67152-18-5*3 Propenediylidene CHCHC (g) 796.2 797.4 ± 1.4 kJ/mol 38.0480 ± 0.0024 60731-11-5*0 n-Butylium [CH3CH2CH2CH2]+ (g) 827.4 803.1 ± 1.2 kJ/mol 57.1137 ± 0.0033 25453-90-1*0 Fluoronium [HFH]+ (g) 774.10 771.16 ± 0.88 kJ/mol 21.01373 ± 0.00014 12206-67-6*0 Fluoronium [(HF)(H)]+ (g, triplet) 1490.1 1491.5 ± 1.9 kJ/mol 21.01373 ± 0.00014 12206-67-6*1 Chlorohydrofluorine cation [ClFH]+ (g) 1000.8 998.1 ± 2.1 kJ/mol 55.45849 ± 0.00090 70110-63-3*0 Ethyloxoniumyl [CH3CH2OH]+ (g) 783.3 766.4 ± 1.7 kJ/mol 46.0679 ± 0.0017 34480-55-2*0 1-Hydroxyethylium [CH3CHOH]+ (g) 608.82 594.40 ± 0.40 kJ/mol 45.0600 ± 0.0017 18682-96-7*0 2-Hydroxyethylium [CH2CH2OH]+ (g, staggered-anti) 1019.2 1006.4 ± 1.6 kJ/mol 45.0600 ± 0.0017 38607-31-7*3 Oxochloronium [ClO]+ (g) 1150.86 1150.69 ± 0.66 kJ/mol 51.45155 ± 0.00095 12301-79-0*0 Ethyloxoniumylidene [CH3CH2O]+ (g) 988.8 975.1 ± 1.5 kJ/mol 45.0600 ± 0.0017 54387-07-4*0 Acetaldehyde cation [CH3CHO]+ (g) 831.85 821.88 ± 0.27 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) 140.8 134.8 ± 1.6 kJ/mol 43.0452 ± 0.0016 72722-59-9*1 Ketene CH2CO (g, singlet) -45.35 -48.46 ± 0.12 kJ/mol 42.0367 ± 0.0016 463-51-4*2 Ketenyl anion [HCCO]- (g) -48.39 -47.46 ± 0.84 kJ/mol 41.0293 ± 0.0016 64066-01-9*0 Dicarbon monoxide anion [CCO]- (g) 154.34 157.98 ± 0.98 kJ/mol 40.0213 ± 0.0016 87191-88-6*0 Dicarbon monoxide CCO (g, singlet) 440.38 444.71 ± 0.98 kJ/mol 40.0208 ± 0.0016 12071-23-7*2 COC vdW (CO)(C) (g, singlet) 726.4 734.8 ± 1.8 kJ/mol 40.0208 ± 0.0016 *12071-24-8*2 C=O-C cation [COC]+ (g, doublet) 1576.2 1583.3 ± 2.4 kJ/mol 40.0203 ± 0.0016 83483-98-1*1 C=O=C anion [COC]- (g) 550.4 554.2 ± 2.2 kJ/mol 40.0213 ± 0.0016 *87191-88-6*0 Azidonitrene NNNN (g, Cs) 692.1 687.5 ± 1.4 kJ/mol 56.02696 ± 0.00028 147363-92-6*2 Oxirene cation [O(CHCH)]+ (g) 1106.3 1102.6 ± 2.0 kJ/mol 42.0361 ± 0.0016 94664-69-4*0 Ethynol HCCOH (g, gauche triplet) 400.2 397.7 ± 2.0 kJ/mol 42.0367 ± 0.0016 32038-79-2*11 Oxoethylidene HCC(O)H (g, anti-triplet) 266.0 262.7 ± 1.9 kJ/mol 42.0367 ± 0.0016 39920-84-8*11 Hydrogen fluoride HF (aq, 50 H2O) -321.15 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*822 Formic acid cation [HC(O)OH]+ (g, anti) 723.8 716.7 ± 1.2 kJ/mol 46.0248 ± 0.0010 50614-05-6*2 Formic acid anion [HC(O)OH]- (g, syn) -256.2 -262.3 ± 1.8 kJ/mol 46.0259 ± 0.0010 19066-82-1*1 Nitronium [ONO]+ (g) 961.78 958.23 ± 0.20 kJ/mol 46.00499 ± 0.00060 14522-82-8*0 Isocyanic acid cation [HNCO]+ (g) 1003.10 1000.43 ± 0.51 kJ/mol 43.02423 ± 0.00086 444010-28-0*0 Fulminic acid cation [HCNO]+ (g) 1215.8 1213.0 ± 1.3 kJ/mol 43.02423 ± 0.00086 114766-65-3*0 Peroxyimidogen NOO (g) 405.4 403.4 ± 1.9 kJ/mol 46.00554 ± 0.00060 *60488-31-5*0 Acetic acid CH3C(O)OH (aq, 1500 H2O) -484.90 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*840 Chlorite [OClO]- (g) -105.62 -107.79 ± 0.35 kJ/mol 67.4520 ± 0.0011 14998-27-7*0 Acetyl chloride CH3C(O)Cl (l) -272.15 ± 0.33 kJ/mol 78.4973 ± 0.0019 75-36-5*500 2-Methoxy-2-oxoethyl CH2C(O)OCH3 (g, anti) -173.3 -188.4 ± 1.8 kJ/mol 73.0706 ± 0.0025 54668-31-4*2 (Acetyloxy)methyl CH3C(O)OCH2 (g, anti) -174.2 -187.3 ± 1.8 kJ/mol 73.0706 ± 0.0025 2887-49-2*2 Glyoxal (CHO)2 (g, trans) -206.91 -212.55 ± 0.52 kJ/mol 58.0361 ± 0.0017 107-22-2*1 Hydrogen fluoride HF (aq, 22 H2O) -321.04 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*902 Oxadiazirene O(NN) (g) 351.7 349.9 ± 1.7 kJ/mol 44.01288 ± 0.00033 227934-45-4*0 Dioxymethylidyne COO (g) 299.8 301.1 ± 1.7 kJ/mol 44.00950 ± 0.00100 791121-04-5*0 Isocyanomethylidyne CNC (g) 672.2 676.6 ± 1.7 kJ/mol 38.0281 ± 0.0016 53590-27-5*0 Cyanomethylidyne CCN (g) 685.4 689.8 ± 2.1 kJ/mol 38.0281 ± 0.0016 4120-02-9*0 NON NON (g) 545.5 542.6 ± 1.7 kJ/mol 44.01288 ± 0.00033 227934-46-5*0 Tetrachloromethane CCl4 (l) -108.74 -128.15 ± 0.44 kJ/mol 153.8215 ± 0.0037 56-23-5*500 Fluorosyl fluoride FFO (g, triplet) 192.6 193.1 ± 2.3 kJ/mol 53.99621 ± 0.00030 86825-57-2*1 Dihydrogen fluoride anion [(F)(HH)]- (g, singlet) -257.0 -260.1 ± 1.9 kJ/mol 21.01483 ± 0.00014 *117339-92-1*2 Dichloromethylene anion [CCl2]- (g) 75.62 77.90 ± 0.78 kJ/mol 82.9166 ± 0.0020 118364-73-1*0 Dichloromethylium [CHCl2]+ (g) 894.6 891.4 ± 1.2 kJ/mol 83.9235 ± 0.0020 56932-33-3*0 Dichloromethide [CHCl2]- (g) -41.2 -42.9 ± 2.0 kJ/mol 83.9246 ± 0.0020 32180-91-9*0 Chloromethylium [CH2Cl]+ (g) 962.3 958.4 ± 1.2 kJ/mol 49.4787 ± 0.0012 59000-00-9*0 Chloromethylene CHCl (g, triplet) 346.14 346.44 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*1 1,2-Dichloroethane CH2ClCH2Cl (cr,l) -165.73 ± 0.56 kJ/mol 98.9586 ± 0.0024 107-06-2*500 1,1-Dichloroethane CH3CHCl2 (cr,l) -163.90 ± 0.48 kJ/mol 98.9586 ± 0.0024 75-34-3*500 Bromo hypobromite BrOBr (g) 120.1 103.6 ± 1.4 kJ/mol 175.8074 ± 0.0020 21308-80-5*0 Pentachloroethane CHCl2CCl3 (g) -151.3 -157.2 ± 1.9 kJ/mol 202.2928 ± 0.0048 76-01-7*0 Diazenide [NNH]- (g, vdW) 175.7 176.7 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*100 Chloroform CHCl3 (l) -133.81 ± 0.52 kJ/mol 119.3767 ± 0.0028 67-66-3*590 Chlorodibromomethane CHClBr2 (g) 18.6 -0.2 ± 3.4 kJ/mol 208.2793 ± 0.0023 124-48-1*0 Tribromofluoromethane CBr3F (g) -107.3 -131.3 ± 1.6 kJ/mol 270.7211 ± 0.0031 353-54-8*0 Tribromochloromethane CBr3Cl (g) 77.1 54.3 ± 1.6 kJ/mol 287.1754 ± 0.0032 594-15-0*0 Trifluoromethide [CF3]- (g) -637.7 -639.6 ± 1.8 kJ/mol 69.00646 ± 0.00080 54128-17-5*0 Carbide [C2]- (g) 504.70 511.27 ± 0.39 kJ/mol 24.0219 ± 0.0016 12595-78-7*0 Bromochloromethane CH2ClBr (g) -28.7 -42.7 ± 1.3 kJ/mol 129.3833 ± 0.0016 74-97-5*0 Dioxygenyl ion monohydrate [(H2O)(O2)]+ (g) 828.5 821.4 ± 2.1 kJ/mol 50.01353 ± 0.00091 11083-61-7*0 Diiodide [I2]- (g) -178.13 -180.72 ± 0.48 kJ/mol 253.809489 ± 0.000060 12190-71-5*0 Fluoromethylene CHF (g) 148.37 148.66 ± 0.43 kJ/mol 32.01704 ± 0.00080 13453-52-6*0 Iodine atom I (g, 2P3/2) 107.157 106.757 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*1 Ethyl iodide CH3CH2I (g) 8.71 -7.17 ± 0.49 kJ/mol 155.9656 ± 0.0016 75-03-6*0 1,2-Dibromoacetylene BrCCBr (g) 332.3 321.4 ± 2.3 kJ/mol 183.8294 ± 0.0026 624-61-3*0 Fluoro(fluorooxy)methylene FCOF (g, vdW triplet) -97.5 -95.7 ± 1.6 kJ/mol 66.00691 ± 0.00085 479587-30-9*101 Fluorochlorate [ClF]- (g) -256.03 -255.42 ± 0.81 kJ/mol 54.45165 ± 0.00090 12272-56-9*0 Fluorooxomethylium [FCO]+ (g) 724.9 724.5 ± 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 Benzene cation [C6H6]+ (g) 992.50 976.04 ± 0.23 kJ/mol 78.1113 ± 0.0048 34504-50-2*0 2-Cyclopropyn-1-ylidene C(CC) (g, triplet) 898.9 905.8 ± 1.6 kJ/mol 36.0321 ± 0.0024 102508-15-6*1 Peroxychlorite [OClOO]- (g) -34.3 -34.3 ± 2.0 kJ/mol 83.4514 ± 0.0013 852472-63-0*0 Hydrogen fluoride HF (aq, 35 H2O) -321.10 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*904 Triiodide [I3]- (g) -254.3 -257.5 ± 3.4 kJ/mol 380.713959 ± 0.000090 14900-04-0*0 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 Hydrogen difluoride (F)(HF) (g, perp) -187.4 -187.1 ± 1.6 kJ/mol 39.004746 ± 0.000070 12528-21-1*2 2-Oxopropylium [CH3C(O)CH2]+ (g) 784.4 770.6 ± 1.8 kJ/mol 57.0707 ± 0.0024 54088-52-7*0 1-Chloro ozone ClOOO (g, cis vdW) 226.3 223.1 ± 2.3 kJ/mol 83.4509 ± 0.0013 141801-66-3*101 1,2-Dibromoethane (CBrH2)2 (g) -11.7 -38.6 ± 1.3 kJ/mol 187.8612 ± 0.0026 106-93-4*0 2-Butanone CH3CH2C(O)CH3 (g) -216.97 -238.42 ± 0.92 kJ/mol 72.1057 ± 0.0033 78-93-3*0 2-Propynal CHCCHO (g) 135.5 133.2 ± 1.4 kJ/mol 54.0474 ± 0.0024 624-67-9*0 Azanylium [NH3]+ (g) 944.272 937.318 ± 0.030 kJ/mol 17.03001 ± 0.00022 19496-55-0*0 Cyanomethanide [CH2CN]- (g) 114.1 111.2 ± 1.1 kJ/mol 40.0446 ± 0.0016 21438-99-3*0 Nitrous acid HONO (g) -73.005 -78.662 ± 0.079 kJ/mol 47.01348 ± 0.00061 7782-77-6*0 Methyleneoxonium cation [CH2OH2]+ (g) 827.7 818.3 ± 1.7 kJ/mol 32.04131 ± 0.00090 *177788-17-9*0 Hydroxymethanide [CH2OH]- (g) 9.3 2.7 ± 1.7 kJ/mol 31.03447 ± 0.00088 55830-71-2*0 Formaldehyde CH2O (g, singlet) -105.382 -109.221 ± 0.098 kJ/mol 30.02598 ± 0.00087 50-00-0*2 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 Hydroxymethylene anion [HCOH]- (g, cis) 160.2 157.5 ± 1.7 kJ/mol 30.02653 ± 0.00087 207914-87-2*2 Hydroxymethylene anion [HCOH]- (g, gauche quartet) 334.0 334.8 ± 2.1 kJ/mol 30.02653 ± 0.00087 207914-87-2*3 Aquacarbon H2OC (g, singlet vdW) 467.6 465.5 ± 1.9 kJ/mol 30.02598 ± 0.00087 81434-73-3*102 Aquacarbon cation [H2OC]+ (g) 1196.1 1193.0 ± 1.7 kJ/mol 30.02543 ± 0.00087 *81434-73-3*0 Bifluoride [FHF]- (g) -705.22 -709.07 ± 0.36 kJ/mol 39.005295 ± 0.000070 18130-74-0*0 Fluorodioxidenium [FOO]+ (g) 1221.9 1219.5 ± 2.0 kJ/mol 50.99665 ± 0.00060 139584-95-5*0 Perchloryloxy OCl(O)(O)O (g) 248.6 241.0 ± 1.8 kJ/mol 99.4503 ± 0.0015 12133-63-0*0 Carbonic acid C(O)(OH)2 (g) -602.74 -612.05 ± 0.75 kJ/mol 62.0248 ± 0.0012 463-79-6*0 Aminyliumyl [NH]+ (g) 1659.04 1659.96 ± 0.24 kJ/mol 15.014131 ± 0.000099 19067-62-0*0 Peroxyformic acid HC(O)OOH (g, gauche) -265.3 -273.1 ± 1.5 kJ/mol 62.0248 ± 0.0012 107-32-4*3 Hydroxyaminylium [HNOH]+ (g, cis) 1048.6 1041.4 ± 2.6 kJ/mol 32.02147 ± 0.00034 66097-71-0*2 1-Chloro ozone anion [ClOOO]- (g, cis) -66.8 -68.7 ± 2.1 kJ/mol 83.4514 ± 0.0013 224299-15-4*1 1-Methylethylidene CH3CCH3 (g, triplet) 327.0 313.9 ± 1.6 kJ/mol 42.0797 ± 0.0024 40852-89-9*1 Xenon cation Xe+ (g) 1170.354 1170.354 ± 0.0062 kJ/mol 131.2895 ± 0.0200 24203-25-6*0 Hydrogen fluoride HF (aq, 60 H2O) -321.17 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*823 Ethane cation [CH3CH3]+ (g) 1043.19 1029.18 ± 0.60 kJ/mol 30.0685 ± 0.0017 34488-65-8*0 Chlorine difluoride anion [FClF]- (g) -504.9 -505.8 ± 1.9 kJ/mol 73.45005 ± 0.00090 16892-05-0*0 Propynylidene cation [HCCCH]+ (g) 1410.8 1413.4 ± 1.3 kJ/mol 38.0474 ± 0.0024 75123-91-0*0 Hydrogen bromide HBr (aq, 600 H2O) -120.49 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*834 Propynylidene HCCCH (g, trans singlet) 597.4 599.2 ± 1.1 kJ/mol 38.0480 ± 0.0024 67152-18-5*4 Propadienylidenide [CH2CC]- (g) 381.15 382.05 ± 0.42 kJ/mol 38.0485 ± 0.0024 109292-49-1*0 1,2-Propadien-1-ylium-1-yl [CH2CC]+ (g) 1561.7 1562.9 ± 1.4 kJ/mol 38.0474 ± 0.0024 110714-00-6*0 Nitric acid HON(O)O (aq, 1000 H2O) -206.32 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*839 Nitric acid HON(O)O (cr,l) -179.02 -173.29 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*500 Hydrogen fluoride HF (l) -302.39 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*590 Hydroxyamidogen anion [HNOH]- (g) 90.8 84.9 ± 2.8 kJ/mol 32.02257 ± 0.00034 *66097-71-0*0 Hydrogen bromide HBr (aq, 5000 H2O) -120.78 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*844 n-Pentane CH3CH2CH2CH2CH3 (cr,l) -156.04 -173.01 ± 0.31 kJ/mol 72.1488 ± 0.0041 109-66-0*500 iso-Pentane CH3CH2CH(CH3)2 (l) -178.43 ± 0.44 kJ/mol 72.1488 ± 0.0041 78-78-4*500 neo-Pentane C(CH3)4 (l) -189.89 ± 0.40 kJ/mol 72.1488 ± 0.0041 463-82-1*500 Cyclopentane CH2(CH2CH2CH2CH2) (l) -105.22 ± 0.41 kJ/mol 70.1329 ± 0.0041 287-92-3*590 Hydrogen chloride HCl (aq, 2000 H2O) -166.683 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*841 Azidonitrene NNNN (g, C2h) 660.8 657.6 ± 1.6 kJ/mol 56.02696 ± 0.00028 147363-92-6*1 1,5-Hexadiene CH2CHCH2CH2CHCH2 (g) 108.38 83.79 ± 0.40 kJ/mol 82.1436 ± 0.0049 592-42-7*0 Ethylene anion [CH2CH2]- (g, anti ?) 232.0 224.4 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*1 Ethoxy CH3CH2O (g) 1.51 -11.92 ± 0.48 kJ/mol 45.0605 ± 0.0017 2154-50-9*0 Chlorine difluoride ClFF (g) 22.5 23.8 ± 1.9 kJ/mol 73.44951 ± 0.00090 91483-78-2*0 Fluorosyl fluoride anion [FFO]- (g, doublet) -147.2 -146.9 ± 3.0 kJ/mol 53.99675 ± 0.00030 *86825-57-2*2 Dicarbon monoxide cation [CCO]+ (g) 1434.0 1439.1 ± 2.2 kJ/mol 40.0203 ± 0.0016 12287-08-0*0 C=O-C cation [COC]+ (g, quartet) 1813.0 1817.0 ± 2.4 kJ/mol 40.0203 ± 0.0016 83483-98-1*2 Nitrosyl fluoride FNO (g) -85.81 -88.18 ± 0.93 kJ/mol 49.00454 ± 0.00031 7789-25-5*0 Oxirene anion [O(CHCH)]- (g) 288.2 285.3 ± 2.3 kJ/mol 42.0372 ± 0.0016 *157-18-6*0 (E)-Diazene anion [HNNH]- (g, trans) 265.5 258.7 ± 2.0 kJ/mol 30.02991 ± 0.00020 *59952-06-6*0 Oxoethylidene HCC(O)H (g, triplet) 261.2 258.4 ± 1.6 kJ/mol 42.0367 ± 0.0016 39920-84-8*1 (Z)-Diazene cation [HNNH]+ (g, cis) 1157.0 1150.1 ± 1.3 kJ/mol 30.02881 ± 0.00020 86631-37-0*0 Formic acid anion [HC(O)OH]- (g, anti) -241.2 -246.9 ± 1.9 kJ/mol 46.0259 ± 0.0010 19066-82-1*2 Dioxirane cation [CH2(OO)]+ (g) 1050.8 1043.2 ± 2.0 kJ/mol 46.0248 ± 0.0010 232262-10-1*0 Dioxymethyl cation [CH2OO]+ (g) 1074.9 1068.6 ± 1.8 kJ/mol 46.0248 ± 0.0010 232262-11-2*0 Trioxidanyl HOOO (g, cis) 26.30 23.02 ± 0.19 kJ/mol 49.00614 ± 0.00090 12500-78-6*2 Hydrogen chloride HCl (aq, 75 H2O) -165.557 ± 0.026 kJ/mol 36.46064 ± 0.00090 7647-01-0*825 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 Nitrosyl nitrate ON(O2)NO (g, perp) 70.6 62.3 ± 1.8 kJ/mol 92.0111 ± 0.0012 *15969-55-8*0 Dioxaziridinyl cation [N(OO)]+ (g) 1365.9 1363.3 ± 1.7 kJ/mol 46.00499 ± 0.00060 *66252-29-7*0 Dioxaziridinyl anion [N(OO)]- (g) 295.9 293.4 ± 1.6 kJ/mol 46.00609 ± 0.00060 66252-31-1*0 Cyanato cation [NCO]+ (g) 1261.56 1262.06 ± 0.59 kJ/mol 42.01629 ± 0.00086 17247-99-3*0 Nitrosomethyliumylidene [CNO]+ (g) 1509.9 1510.9 ± 1.9 kJ/mol 42.01629 ± 0.00086 67197-19-7*0 Fulminate [CNO]- (g) 59.2 59.5 ± 1.9 kJ/mol 42.01739 ± 0.00086 28269-67-2*0 Acetylene anion [HCCH]- (g, trans ?) 356.8 356.7 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*1 Peroxyimidogen cation [NOO]+ (g) 1409.6 1406.8 ± 1.9 kJ/mol 46.00499 ± 0.00060 *60488-32-6*0 Acetic acid CH3C(O)OH (l) -484.09 -483.66 ± 0.18 kJ/mol 60.0520 ± 0.0017 64-19-7*500 Acetic acid CH3C(O)OH (aq, 75 H2O) -484.70 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*825 Acetic acid CH3C(O)OH (aq, 700 H2O) -484.89 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*835 1-Hydrazinylium-1-yl [NNH2]+ (g) 1143.4 1136.4 ± 1.4 kJ/mol 30.02881 ± 0.00020 63986-30-1*0 Tetraoxidanyl (HO2)(O2) (g, vdW) 2.0 0.2 ± 3.0 kJ/mol 65.0055 ± 0.0012 69696-93-1*100 Peroxyimidogen anion [NOO]- (g) 165.1 162.7 ± 1.7 kJ/mol 46.00609 ± 0.00060 60488-31-5*0 Hydrogen fluoride HF (aq, 18 H2O) -321.02 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*901 Nirous oxide cation [NNO]+ (g) 1329.67 1326.78 ± 0.12 kJ/mol 44.01233 ± 0.00033 12269-46-4*0 Hydrogen fluoride HF (aq, 10 H2O) -320.87 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*815 Glyoxal (CHO)2 (g, cis) -188.52 -193.96 ± 0.69 kJ/mol 58.0361 ± 0.0017 107-22-2*2 Glyoxal (CHO)2 (g) -206.91 -212.47 ± 0.52 kJ/mol 58.0361 ± 0.0017 107-22-2*0 Dimethylaminylium [(CH3)2N]+ (g) 1040.0 1024.6 ± 1.8 kJ/mol 44.0752 ± 0.0017 49784-85-2*0 Diisocyanogen CNNC (g) 610.7 613.0 ± 1.7 kJ/mol 52.0349 ± 0.0016 78800-21-2*0 Oxadiazirine anion [O(NN)]- (g) 95.1 95.5 ± 2.9 kJ/mol 44.01343 ± 0.00033 350586-31-1*0 Dichloromethylene CCl2 (g, triplet) 313.61 314.82 ± 0.90 kJ/mol 82.9161 ± 0.0020 1605-72-7*1 Dihydrooxooxygen cation [(H2O)O]+ (g) 995.0 988.3 ± 1.6 kJ/mol 34.01413 ± 0.00062 177329-59-8*0 Chloromethyliumyl [CHCl]+ (g) 1207.4 1207.6 ± 2.0 kJ/mol 48.4708 ± 0.0012 89877-51-0*0 Chloromethylene anion [CHCl]- (g) 203.43 204.25 ± 0.94 kJ/mol 48.4719 ± 0.0012 75466-08-9*0 Chlorohydroxymethyl CH(Cl)OH (g, anti-gauche) -46.3 -51.9 ± 2.0 kJ/mol 65.4787 ± 0.0012 147139-06-8*2 Methylimidogen CH3N (g) 323.1 315.4 ± 1.7 kJ/mol 29.04126 ± 0.00083 27770-42-9*0 1,1,2-Trichloroethane CH2ClCHCl2 (l) -188.6 ± 1.4 kJ/mol 133.4033 ± 0.0031 79-00-5*500 1,1,1,2-Tetrachloroethane CH2ClCCl3 (cr,l) -193.5 ± 1.1 kJ/mol 167.8481 ± 0.0039 630-20-6*500 Hexachloroethane CCl3CCl3 (cr,l) -216.5 ± 2.8 kJ/mol 236.7376 ± 0.0056 67-72-1*500 Trioxodinitrate anion [ONN(O)O]- (g, vdW) -104.3 -107.5 ± 1.9 kJ/mol 76.01223 ± 0.00091 194856-62-7*100 trans-1,2-Dichloroethene CHClCHCl (g, trans) 5.29 -0.13 ± 0.55 kJ/mol 96.9427 ± 0.0024 156-60-5*0 Diazenide [NNH]- (g, triplet) 347.5 344.6 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*1 Trifluoride ion [F3]- (g) -348.9 -349.7 ± 2.6 kJ/mol 56.9957582 ± 0.0000015 25730-99-8*0 Perchlorate [OCl(O)(O)O]- (g) -263.2 -272.1 ± 2.2 kJ/mol 99.4508 ± 0.0015 14797-73-0*0 Dihydrogen cation [H2]+ (g) 1488.364 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*0 Ethynylene cation [C2]+ (g) 1965.20 1971.78 ± 0.50 kJ/mol 24.0209 ± 0.0016 12595-79-8*0 Trioxidanylium [HOOO]+ (g, cis) 1085.3 1079.1 ± 1.5 kJ/mol 49.00559 ± 0.00090 74241-49-9*2 Deuterium atom cation D+ (g) 1532.210 1534.123 ± 0.000 kJ/mol 2.01355319809 ± 0.00000000040 14464-47-2*0 Fluorochlorobromomethane CHFClBr (g) -219.3 -231.7 ± 5.5 kJ/mol 147.3737 ± 0.0016 593-98-6*0 Iminomethyl anion [HCNH]- (g, cis) 252.6 248.9 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*2 Trioxidaniumyl [HOOOH]+ (g, c, t) 935.2 926.1 ± 1.6 kJ/mol 50.01353 ± 0.00091 161321-37-5*3 Fluoromethyliumyl [CHF]+ (g) 1116.6 1116.9 ± 1.7 kJ/mol 32.01649 ± 0.00080 89877-52-1*0 Fluoromethylene anion [CHF]- (g) 95.92 96.45 ± 0.61 kJ/mol 32.01759 ± 0.00080 71267-42-0*0 Polytetrafluoroethylene CF2CF2 (s) -829.56 ± 0.58 kJ/mol 100.0150 ± 0.0016 9002-84-0*591 Fluoroniumyl ion [HF]+ (g) 1275.558 1275.790 ± 0.050 kJ/mol 20.005795 ± 0.000070 12381-92-9*0 Hydroxylamine NH2OH (g, cis) -15.5 -26.0 ± 1.4 kJ/mol 33.02996 ± 0.00037 7803-49-8*2 Dihydrogen fluoride anion [(HF)(H)]- (g, singlet) -61.9 -60.5 ± 3.2 kJ/mol 21.01483 ± 0.00014 117339-92-1*2 cis-1,2-Difluoroethene CHFCHF (g, cis) -302.9 -309.7 ± 1.1 kJ/mol 64.0341 ± 0.0016 1630-77-9*0 trans-1,2-Difluoroethene CHFCHF (g, trans) -299.7 -306.1 ± 1.1 kJ/mol 64.0341 ± 0.0016 1630-78-0*0 Hydroxylamine cation [NH2OH]+ (g) 857.6 847.8 ± 1.6 kJ/mol 33.02941 ± 0.00037 62675-55-2*0 Chlorine oxide peroxide OClOO (g, vdW) 226.5 227.4 ± 2.5 kJ/mol 83.4509 ± 0.0013 141801-67-4*100 Formyl fluoride cation [CHFO]+ (g) 816.6 813.3 ± 1.3 kJ/mol 48.01589 ± 0.00086 99766-68-4*0 Hydrogen cyanide cation [HCN]+ (g) 1442.52 1442.05 ± 0.20 kJ/mol 27.02483 ± 0.00081 12601-62-6*0 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 Hydrogen peroxide cation [H2O2]+ (g, cis) 931.41 924.56 ± 0.94 kJ/mol 34.01413 ± 0.00062 12325-10-9*2 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) 1393.8 1385.8 ± 1.7 kJ/mol 76.0954 ± 0.0048 70220-84-7*0 Nitrogen hydride oxide NH3O (g) 71.1 59.9 ± 1.5 kJ/mol 33.02996 ± 0.00037 38544-48-8*0 m-Benzyne cation [C6H4]+ (g) 1365.5 1357.0 ± 1.9 kJ/mol 76.0954 ± 0.0048 121058-08-0*0 Fluorodioxidanide [FOO]- (g) -256.9 -256.1 ± 1.9 kJ/mol 50.99775 ± 0.00060 23553-17-5*0 p-Benzyne C6H4 (g, triplet) 603.5 594.2 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*1 Benzylium [C6H5CH2]+ (g) 929.34 909.84 ± 0.61 kJ/mol 91.1299 ± 0.0056 6711-19-9*0 Aminooxy cation [NH2O]+ (g) 946.05 938.92 ± 0.80 kJ/mol 32.02147 ± 0.00034 *51375-41-8*0 1,3-Cycloheptadiene CH2(CHCHCHCHCH2CH2) (g, c-c) 123.25 94.14 ± 0.78 kJ/mol 94.1543 ± 0.0056 4054-38-0*1 Tropylium [CH(CHCHCHCHCHCH)]+ (g) 897.9 878.1 ± 1.1 kJ/mol 91.1299 ± 0.0056 26811-28-9*0 Dihydrogen fluoride (H)(HF) (g) -55.9 -54.9 ± 1.6 kJ/mol 21.01428 ± 0.00014 12592-22-2*1 Hydrofluorate ion [HF]- (g) -75.6 -75.1 ± 1.8 kJ/mol 20.006892 ± 0.000070 37249-79-9*0 Dioxofluorine OFO (g) 524.0 523.2 ± 1.0 kJ/mol 50.99720 ± 0.00060 175861-93-5*0 Acetone enol CH3C(OH)CH2 (g, anti) -147.1 -164.3 ± 1.3 kJ/mol 58.0791 ± 0.0025 29456-04-0*2 1,3-Butadiyne-1,4-diyl CCCC (g) 1052.47 1062.44 ± 0.68 kJ/mol 48.0428 ± 0.0032 78015-07-3*0 Krypton hydride cation [KrH]+ (g) 1106.33 1104.55 ± 0.69 kJ/mol 84.8074 ± 0.1000 37276-90-7*0 Hydrooxonitrate [HNO]- (g) 78.60 75.68 ± 0.99 kJ/mol 31.01463 ± 0.00032 66057-02-1*0 Cyanogen bromide anion [BrCN]- (g) 57.8 54.2 ± 3.8 kJ/mol 105.9220 ± 0.0013 54092-05-6*0 Triazirinylium ion [N(NN)]+ (g) 1608.8 1605.9 ± 1.6 kJ/mol 42.01967 ± 0.00021 92220-05-8*0 Cycloprop-2-enylium [CH(CHCH)]+ (g) 1080.6 1075.5 ± 1.4 kJ/mol 39.0554 ± 0.0024 26810-74-2*0 2-Propenylidyne anion [CH2CHC]- (g) 464.5 460.7 ± 1.8 kJ/mol 39.0565 ± 0.0024 120126-89-8*0 Triazirine HN(NN) (g) 464.0 457.6 ± 2.6 kJ/mol 43.02816 ± 0.00022 157-29-9*0 2-Propen-3-yliumylidene [CHCHCH]+ (g) 1494.7 1491.7 ± 1.7 kJ/mol 39.0554 ± 0.0024 84654-86-4*0 2-Propenylidene anion [CHCHCH]- (g) 536.0 532.6 ± 1.8 kJ/mol 39.0565 ± 0.0024 98705-30-7*0 Ethanium [C2H7]+ (g, classical Cs I) 888.7 870.3 ± 1.8 kJ/mol 31.0764 ± 0.0017 24669-33-8*2 Ethanium [C2H7]+ (g, classical Cs II) 895.1 877.3 ± 1.9 kJ/mol 31.0764 ± 0.0017 24669-33-8*3 Propynylidene HCCCH (g) 543.41 546.41 ± 0.64 kJ/mol 38.0480 ± 0.0024 67152-18-5*0 1-Cyclopropene-1,2-diyl CH2(CC) (g) 791.1 790.6 ± 1.5 kJ/mol 38.0480 ± 0.0024 202744-75-0*0 Cyclopropenyliumdiyl [CH(CC)]+ (g) 1692.1 1695.0 ± 1.9 kJ/mol 37.0395 ± 0.0024 127476-05-5*0 Cyclopropynyl anion [CH(CC)]- (g) 518.0 521.0 ± 1.1 kJ/mol 37.0406 ± 0.0024 136861-42-2*0 Hypochlorous acid cation [HOCl]+ (g) 998.91 995.87 ± 0.90 kJ/mol 52.45949 ± 0.00095 71606-47-8*0 Hypochlorous acid anion [HOCl]- (g) 198.7 198.4 ± 2.5 kJ/mol 52.46059 ± 0.00095 34524-94-2*0 Nitrate [ON(O)O]- (aq) -206.64 ± 0.18 kJ/mol 62.00549 ± 0.00090 14797-55-8*800 Methanol anion [CH3OH]- (g) -89.1 -99.8 ± 2.8 kJ/mol 32.04241 ± 0.00090 68474-04-4*0 Tribromine Br3 (g) 155.9 134.2 ± 3.2 kJ/mol 239.7120 ± 0.0030 11094-39-6*0 Chloryl chloride ClCl(O)O (g) 126.1 122.1 ± 1.7 kJ/mol 102.9042 ± 0.0019 117489-73-3*0 Cyclopentene CH2(CH2CHCHCH2) (l) 4.39 ± 0.42 kJ/mol 68.1170 ± 0.0040 142-29-0*590 Hydrogen chloride HCl (aq, 150 H2O) -165.979 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*829 Ethanol CH3CH2OH (l) -269.68 -277.44 ± 0.23 kJ/mol 46.0684 ± 0.0017 64-17-5*500 1-Hydroxyethanide [CH3CHOH]- (g) -20.0 -33.4 ± 2.9 kJ/mol 45.0610 ± 0.0017 88032-18-2*0 Ozone cation [OOO]+ (g) 1352.870 1350.531 ± 0.041 kJ/mol 47.99765 ± 0.00090 12596-82-6*0 Peroxychloric acid HOOCl(O)O (g) 77.5 69.3 ± 2.6 kJ/mol 100.4582 ± 0.0015 177778-91-5*0 Ethylene anion [CH2CH2]- (g, syn ?) 231.6 225.5 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*2 Acetaldehyde anion [CH3CHO]- (g) -61.9 -72.2 ± 2.1 kJ/mol 44.0531 ± 0.0017 60427-04-5*0 Diazenium [NH2NH]+ (g) 968.59 957.33 ± 0.77 kJ/mol 31.03675 ± 0.00025 37369-93-0*0 Hypofluorous acid cation [HOF]+ (g) 1142.00 1138.99 ± 0.87 kJ/mol 36.00519 ± 0.00031 90243-22-4*0 1-Ethylium-1-yl [CH3CH]+ (g) 1182.1 1174.8 ± 3.2 kJ/mol 28.0526 ± 0.0016 85944-79-2*0 Ethylidene anion [CH3CH]- (g) 325.8 318.5 ± 1.9 kJ/mol 28.0537 ± 0.0016 35829-99-3*0 Hydrogen fluoride HF (aq, 22.2 H2O) -321.05 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*888 Tribromide [Br3]- (g) -287.4 -308.4 ± 1.9 kJ/mol 239.7125 ± 0.0030 14522-80-6*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 Oxoethenylium [HCCO]+ (g) 1139.7 1142.5 ± 2.2 kJ/mol 41.0282 ± 0.0016 92056-63-8*0 Hydroxyimidogen anion [NOH]- (g) 229.9 227.4 ± 2.3 kJ/mol 31.01463 ± 0.00032 *35337-59-8*0 Formaldehyde anion [CH2O]- (g) -26.7 -28.3 ± 2.0 kJ/mol 30.02653 ± 0.00087 27837-46-3*0 Chlorine difluoride cation [ClFF]+ (g) 1346.3 1344.9 ± 2.1 kJ/mol 73.44896 ± 0.00090 86825-59-4*0 Hydrogen difluoride cation [FFH]+ (g, singlet) 1174.3 1171.3 ± 1.5 kJ/mol 39.004198 ± 0.000070 *126950-54-7*2 Dinitrogen pentoxide O2NONO2 (cr,l) -41.04 ± 0.42 kJ/mol 108.0105 ± 0.0015 10102-03-1*500 Formaldehyde CH2O (g, triplet) 196.008 192.678 ± 0.098 kJ/mol 30.02598 ± 0.00087 50-00-0*1 Oxiranylidene CH2(CO) (g, triplet) 456.2 452.1 ± 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 Methyl hydroperoxide cation [CH3OOH]+ (g) 833.4 820.2 ± 2.2 kJ/mol 48.0407 ± 0.0010 112465-88-0*0 2-Chloro ozone anion [ClO(O)O]- (g) -103.4 -105.6 ± 3.2 kJ/mol 83.4514 ± 0.0013 *141801-67-4*0 Methoxyoxoniumylidene [CH3OO]+ (g) 1012.8 1004.6 ± 2.0 kJ/mol 47.0328 ± 0.0010 86475-50-5*0 Chlorine difluoride anion [ClFF]- (g) -319.0 -319.1 ± 2.2 kJ/mol 73.45005 ± 0.00090 91419-41-9*0 Ammonium radical NH4 (g) 190.01 179.43 ± 0.43 kJ/mol 18.03850 ± 0.00029 92075-50-8*0 Tetranitrogen cation [NNNN]+ (g) 1392.8 1392.5 ± 1.5 kJ/mol 56.02641 ± 0.00028 12185-04-5*0 Dioxirane anion [CH2(OO)]- (g) -170.4 -177.2 ± 3.9 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 Isocyanomethane CH3NC (g) 183.79 177.31 ± 0.82 kJ/mol 41.0520 ± 0.0016 593-75-9*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 Chloryl ion [OClO]+ (g) 1100.15 1097.49 ± 0.52 kJ/mol 67.4510 ± 0.0011 25052-55-5*0 2-Propanol CH3CH(OH)CH3 (cr,l) -306.20 -319.01 ± 0.38 kJ/mol 60.0950 ± 0.0025 67-63-0*500 1-Propanol CH3CH2CH2OH (cr,l) -290.53 -302.72 ± 0.24 kJ/mol 60.0950 ± 0.0025 71-23-8*500 Carbon atom C (g, triplet) 711.401 716.886 ± 0.048 kJ/mol 12.01070 ± 0.00080 7440-44-0*1 Hydrogen fluoride HF (aq, 37 H2O) -321.11 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*890 Carbon atom C (g, singlet) 833.332 838.478 ± 0.048 kJ/mol 12.01070 ± 0.00080 7440-44-0*2 Dibromine Br2 (aq) -2.16 ± 0.20 kJ/mol 159.8080 ± 0.0020 7726-95-6*800 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) 448.0 448.8 ± 2.4 kJ/mol 42.01739 ± 0.00086 28269-68-3*0 Acetylene anion [HCCH]- (g, cis ?) 380.1 380.3 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*2 Hydrogen fluoride HF (aq, 55.51 H2O) -321.16 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*891 1-Methoxyethenol CH2C(OH)OCH3 (g, anti-syn) -284.7 -304.0 ± 1.7 kJ/mol 74.0785 ± 0.0025 4453-91-2*1 Hydroperoxyimidogen HOON (g, trans) 103.3 99.8 ± 2.4 kJ/mol 47.01348 ± 0.00061 877456-58-1*1 Oxobromonium [BrO]+ (g) 1139.1 1131.4 ± 1.6 kJ/mol 95.9029 ± 0.0010 142315-39-7*0 Hydrogen fluoride HF (aq, 55 H2O) -321.16 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*905 Hydrogen chloride HCl (aq, 2439 H2O) -166.712 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*951 Nirous oxide anion [NNO]- (g) 99.2 96.7 ± 1.9 kJ/mol 44.01343 ± 0.00033 12274-12-3*0 Methylammoniumyl [CH3NH2]+ (g) 865.42 851.48 ± 0.33 kJ/mol 31.05659 ± 0.00088 34516-31-9*0 Oxalic acid (COOH)2 (g) -710.8 -721.4 ± 2.1 kJ/mol 90.0349 ± 0.0020 144-62-7*0 Methylamine anion [CH3NH2]- (g) 83.9 69.0 ± 2.8 kJ/mol 31.05769 ± 0.00088 81096-79-9*0 Hydrogen chloride HCl (aq, 140 H2O) -165.946 ± 0.026 kJ/mol 36.46064 ± 0.00090 7647-01-0*907 Bromine dioxide OBrO (g) 167.1 157.5 ± 3.0 kJ/mol 111.9028 ± 0.0012 21255-83-4*0 Trioxidanylium [HOOO]+ (g) 1070.6 1064.3 ± 1.4 kJ/mol 49.00559 ± 0.00090 74241-49-9*0 Cyanogen cation [NCCN]+ (g) 1598.37 1600.59 ± 0.44 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 Diazoethenylidene NNCC (g) 658.7 661.4 ± 1.8 kJ/mol 52.0349 ± 0.0016 130760-10-0*0 Dioxygen O2 (g, triplet) -0.000 -0.000 ± 0.000 kJ/mol 31.99880 ± 0.00060 7782-44-7*1 Isocyanomethyliumylidene [CNC]+ (g) 1615.7 1621.2 ± 2.0 kJ/mol 38.0276 ± 0.0016 78271-45-1*0 Isocyanomethylidyne anion [CNC]- (g) 479.3 483.0 ± 2.0 kJ/mol 38.0287 ± 0.0016 *53590-27-5*0 Hypofluorous acid anion [HOF]- (g, quartet) 155.3 154.7 ± 2.6 kJ/mol 36.00629 ± 0.00031 36505-07-4*2 Cyanomethyliumylidene [CCN]+ (g) 1719.4 1724.9 ± 2.2 kJ/mol 38.0276 ± 0.0016 76619-90-4*0 Cyanomethylidyne anion [CCN]- (g) 410.2 413.9 ± 2.2 kJ/mol 38.0287 ± 0.0016 12373-35-2*0 2,3-didehydro-1H-azirin-1-yl N(CC) (g) 720.5 724.5 ± 2.1 kJ/mol 38.0281 ± 0.0016 439586-06-8*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 Cyanamide H2NCN (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 Aminomethyl anion [CH2NH2]- (g) 209.2 199.0 ± 2.1 kJ/mol 30.04975 ± 0.00085 74215-21-7*0 Chlorosyl chloride cation [ClClO]+ (g) 1132.6 1130.8 ± 2.0 kJ/mol 86.9043 ± 0.0018 *86825-56-1*0 Methylaminilium [CH3NH]+ (g) 1134.8 1125.0 ± 2.1 kJ/mol 30.04865 ± 0.00085 49784-84-1*0 Trichloromethylium [CCl3]+ (g) 854.28 852.77 ± 0.93 kJ/mol 118.3683 ± 0.0028 27130-34-3*0 Dichloromethyliumyl [CCl2]+ (g) 1121.6 1122.6 ± 1.8 kJ/mol 82.9156 ± 0.0020 55945-51-2*0 Methanimine cation [CH2NH]+ (g) 1056.0 1049.1 ± 1.8 kJ/mol 29.04071 ± 0.00083 65130-65-6*0 Methanimine anion [CH2NH]- (g) 224.3 217.1 ± 2.2 kJ/mol 29.04181 ± 0.00083 127593-73-1*0 Aminomethyliumyl [CHNH2]+ (g) 1039.5 1031.8 ± 2.3 kJ/mol 29.04071 ± 0.00083 89302-94-3*0 Aminomethylene anion [CHNH2]- (g) 353.0 346.1 ± 2.3 kJ/mol 29.04181 ± 0.00083 207914-86-1*0 Chloroniumyl ion [HCl]+ (g) 1137.797 1137.731 ± 0.0051 kJ/mol 36.46009 ± 0.00090 12258-94-5*0 Hydrogen chloride HCl (aq, 1500 H2O) -166.637 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*840 Nitrosyl nitrate ONONO2 (g, trans) 48.3 40.3 ± 1.8 kJ/mol 92.0111 ± 0.0012 15969-55-8*1 Methylimidogen anion [CH3N]- (g) 321.1 313.5 ± 1.8 kJ/mol 29.04181 ± 0.00083 82539-34-2*0 Hydrogen chloride HCl (aq, 74 H2O) -165.546 ± 0.027 kJ/mol 36.46064 ± 0.00090 7647-01-0*953 Fluorine atom cation F+ (g) 1758.303 1760.602 ± 0.048 kJ/mol 18.99785462 ± 0.00000050 14701-13-4*0 Hydrogen bromide HBr (aq, 2570 H2O) -120.72 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*952 Hypobromous acid cation [HOBr]+ (g) 974.80 964.18 ± 0.64 kJ/mol 96.9108 ± 0.0010 154804-02-1*0 Chloromethane cation [CH3Cl]+ (g) 1014.62 1007.85 ± 0.20 kJ/mol 50.4867 ± 0.0012 12538-71-5*0 Trifluorine cation [F3]+ (g) 1529.5 1527.4 ± 2.3 kJ/mol 56.9946610 ± 0.0000015 64710-22-1*0 Imidogen anion [NH]- (g) 322.63 322.68 ± 0.17 kJ/mol 15.015229 ± 0.000099 23841-33-0*0 Hydrogen fluoride HF (aq, 23 H2O) -321.05 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*903 Fluorosyl fluoride anion [FFO]- (g, quartet) -56.6 -55.7 ± 2.4 kJ/mol 53.99675 ± 0.00030 *86825-57-2*1 Methyleneaminylium [CH2N]+ (g, triplet) 1456.6 1453.0 ± 2.2 kJ/mol 28.03277 ± 0.00082 53518-13-1*1 Peroxyhypochlorite [ClOO]- (g) -249.22 -248.20 ± 0.37 kJ/mol 67.4520 ± 0.0011 224299-14-3*0 Bromofluoromethane CH2FBr (g) -198.0 -212.4 ± 5.5 kJ/mol 112.9290 ± 0.0013 373-52-4*0 Bromine atom Br (g, 2P3/2) 117.914 111.851 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*1 Water H2O (l, eq.press.) -285.831 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*589 Fluorodibromomethane CHFBr2 (g) -160.0 -179.5 ± 5.5 kJ/mol 191.8250 ± 0.0022 1868-53-7*0 iso-Proplylide [CH3CHCH3]- (g) 128.6 110.2 ± 1.6 kJ/mol 43.0882 ± 0.0024 25012-80-0*0 Difluorochlorobromomethane CF2ClBr (g) -431.5 -442.2 ± 5.5 kJ/mol 165.3642 ± 0.0016 353-59-3*0 Dichlorofluorobromomethane CCl2FBr (g) -230.2 -240.0 ± 5.5 kJ/mol 181.8185 ± 0.0022 353-58-2*0 Dibromofluorochloromethane CBr2FCl (g) -170.8 -187.4 ± 5.5 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 Hydroxyoxoammoniumyl [HONO]+ (g) 984.1 977.7 ± 1.8 kJ/mol 47.01293 ± 0.00061 80371-48-8*0 1,2-Difluoroacetylene cation [FCCF]+ (g) 1081.7 1084.5 ± 1.3 kJ/mol 62.0177 ± 0.0016 268566-70-7*0 Aminomethyliumylidene [CNH2]+ (g) 1168.3 1165.1 ± 2.2 kJ/mol 28.03277 ± 0.00082 86784-42-1*0 Difluorophosgene cation [CF2O]+ (g) 653.41 650.65 ± 0.51 kJ/mol 66.00636 ± 0.00085 73256-56-1*0 Difluorophosgene anion [CF2O]- (g) -603.5 -605.3 ± 2.6 kJ/mol 66.00745 ± 0.00085 474815-26-4*0 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 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) -144.44 ± 0.95 kJ/mol 187.8181 ± 0.0022 593-95-3*590 2-Chloroethanol ClCH2CH2OH (l) -314.96 ± 0.53 kJ/mol 80.5132 ± 0.0019 107-07-3*590 2-Bromoethanol BrCH2CH2OH (l) -274.87 ± 0.47 kJ/mol 124.9645 ± 0.0019 540-51-2*590 Dioxodiazoxane ONONO (g, t, c) 109.3 105.2 ± 1.8 kJ/mol 76.01168 ± 0.00091 122413-35-8*2 Deuterium hydride cation [HD]+ (g) 1490.498 1490.587 ± 0.000 kJ/mol 3.021493 ± 0.000070 12181-16-7*0 Phenylium [C6H5]+ (g, singlet) 1148.46 1135.68 ± 0.87 kJ/mol 77.1034 ± 0.0048 17333-73-2*2 Hydrogen bromide HBr (aq, 3000 H2O) -120.73 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*842 m-Benzyne anion [C6H4]- (g) 444.1 435.2 ± 1.3 kJ/mol 76.0965 ± 0.0048 249589-31-9*0 p-Benzyne anion [C6H4]- (g) 465.0 455.5 ± 1.3 kJ/mol 76.0965 ± 0.0048 219298-17-6*0 Chlorosyl chloride anion [ClClO]- (g) -185.4 -184.7 ± 2.3 kJ/mol 86.9053 ± 0.0018 *86825-55-0*0 Cycloheptane CH2(CH2CH2CH2CH2CH2C (cr,l) -126.94 -156.83 ± 0.51 kJ/mol 98.1861 ± 0.0057 291-64-5*500 2-Cyclopropyn-1-ylidene C(CC) (g, singlet) 993.2 1000.1 ± 2.5 kJ/mol 36.0321 ± 0.0024 102508-15-6*2 Cyclopropylide [CH(CH2CH2)]- (g) 264.7 251.9 ± 1.8 kJ/mol 41.0723 ± 0.0024 1724-45-4*0 Ethylbenzene C6H5CH2CH3 (cr,l) -12.55 ± 0.55 kJ/mol 106.1650 ± 0.0064 100-41-4*500 Triiodine cation [I3]+ (g) 946.1 941.0 ± 4.1 kJ/mol 380.712861 ± 0.000090 12596-32-6*0 Phenylacetylene C6H5CCH (cr,l) 273.4 ± 1.1 kJ/mol 102.1332 ± 0.0064 536-74-3*500 Aminooxy anion [NH2O]- (g) 47.5 40.5 ± 1.7 kJ/mol 32.02257 ± 0.00034 51375-41-8*0 Phenyloxoniumylidene [C6H5O]+ (g) 901.6 887.2 ± 2.2 kJ/mol 93.1028 ± 0.0048 41071-17-4*0 Anisole C6H5OCH3 (g) -47.78 -72.62 ± 0.80 kJ/mol 108.1378 ± 0.0056 100-66-3*0 Fluorosyl fluoride cation [FFO]+ (g, quartet) 1413.0 1413.4 ± 3.5 kJ/mol 53.99566 ± 0.00030 *86825-50-5*1 Hydrogen bromide HBr (aq, 2000 H2O) -120.68 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*841 Ammonium chloride (NH4)Cl (cr) -311.556 -314.718 ± 0.063 kJ/mol 53.49120 ± 0.00095 12125-02-9*510 Fluorobenzene C6H5F (cr,l) -151.80 -149.38 ± 0.89 kJ/mol 96.1023 ± 0.0048 462-06-6*500 2-Cyclopropyn-1-yl anion [C(CC)]- (g) 664.8 672.1 ± 1.6 kJ/mol 36.0326 ± 0.0024 500574-36-7*0 Bromobenzene C6H5Br (cr,l) 59.9 ± 1.3 kJ/mol 157.0079 ± 0.0049 108-86-1*500 Bicyclo[1.1.0]buta-1,3-diene-2,4-diyl C(CC)C (g) 1047.47 1055.06 ± 0.73 kJ/mol 48.0428 ± 0.0032 12184-80-4*0 Acetone CH3C(O)CH3 (cr,l) -245.11 -248.22 ± 0.38 kJ/mol 58.0791 ± 0.0025 67-64-1*500 Nitric acid cation [HON(O)O]+ (g) 1029.14 1020.07 ± 0.69 kJ/mol 63.01233 ± 0.00091 272109-63-4*0 Propionaldehyde CH3CH2CHO (cr,l) -218.18 -216.72 ± 0.29 kJ/mol 58.0791 ± 0.0025 123-38-6*500 Norbornadiene (CHCH)(CHCH2CH)(CHCH (g) 263.2 237.8 ± 1.9 kJ/mol 92.1384 ± 0.0056 121-46-0*0 Monoammonium succinate (CH2COOH)2(NH3) (cr) -1067.97 ± 0.72 kJ/mol 135.1186 ± 0.0035 38457-08-8*510 Diammonium succinate (CH2COOH)2(NH3)2 (cr) -1182.51 ± 0.48 kJ/mol 152.1492 ± 0.0035 2226-88-2*510 Ammonium bromide (NH4)Br (cr) -253.73 -270.31 ± 0.16 kJ/mol 97.9425 ± 0.0010 12124-97-9*510 Acrolein CH2CHCHO (g, cis) -46.6 -56.9 ± 1.4 kJ/mol 56.0633 ± 0.0024 107-02-8*2 Tetrazete N(NNN) (g, D2h) 764.9 759.0 ± 1.8 kJ/mol 56.02696 ± 0.00028 42851-09-2*0 Nitric acid HON(O)O (aq, 1 H2O) -186.85 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*801 Tetraazatetrahedrane N(N(N)N) (g, Td) 763.7 757.2 ± 1.7 kJ/mol 56.02696 ± 0.00028 12596-63-3*0 Paraformaldehyde CH2O (cr, paraformaldehyde) -179.2 ± 1.6 kJ/mol 30.02598 ± 0.00087 30525-89-4*500 2-Oxo-1-ethylium-1-yl [HCC(O)H]+ (g, anti-quartet) 1289.5 1286.1 ± 2.7 kJ/mol 42.0361 ± 0.0016 214464-96-7*11 Oxoethylidene anion [HCC(O)H]- (g, anti-gauche) 87.0 83.7 ± 2.3 kJ/mol 42.0372 ± 0.0016 106543-38-8*1 Nitric acid HON(O)O (aq, 3 H2O) -197.77 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*805 Dioxohydrazine ONNO (g, cis) 172.89 171.13 ± 0.14 kJ/mol 60.01228 ± 0.00062 16824-89-8*2 Hydrogen chloride HCl (aq, 1000 H2O) -166.565 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*839 Formic acid HC(O)OH (cr,l) -431.54 -424.71 ± 0.20 kJ/mol 46.0254 ± 0.0010 64-18-6*500 Chlorine hydride oxide HCl(O)(O)O (g) 165.1 155.3 ± 2.5 kJ/mol 84.4588 ± 0.0013 1027055-52-2*0 Trioxidanyl HOOO (g) 25.32 23.23 ± 0.13 kJ/mol 49.00614 ± 0.00090 12500-78-6*0 Hydrogen difluoride cation [FHF]+ (g, triplet ?) 1241. 1238. ± 17. kJ/mol 39.004198 ± 0.000070 126950-54-7*1 Trioxidane HOOOH (g) -82.04 -90.63 ± 0.70 kJ/mol 50.01408 ± 0.00091 14699-99-1*0 (Z)-Diazene anion [HNNH]- (g, cis) 280.0 273.3 ± 2.0 kJ/mol 30.02991 ± 0.00020 *86631-37-0*0 Formyloxidanyl HC(O)O (g) -125.81 -127.18 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*0 Dioxiranyl HC(OO) (g) 217.3 213.8 ± 2.0 kJ/mol 45.0174 ± 0.0010 120595-16-6*0 Isocyanogen iodide INC (g) 341.8 342.1 ± 4.9 kJ/mol 152.92191 ± 0.00080 66004-32-8*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 Hydronium radical (H2O)(H) (g, vdW) -18.5 -21.6 ± 2.1 kJ/mol 19.02322 ± 0.00037 12168-76-2*100 Ethoxyethane CH3CH2OCH2CH3 (cr,l) -265.14 -277.46 ± 0.81 kJ/mol 74.1216 ± 0.0033 60-29-7*500 Peroxyhypochlorous acid cation [HOOCl]+ (g, trans) 1030.3 1024.5 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*1 Cycloprop-1-enylium [CH2(CHC)]+ (g) 1502.3 1498.0 ± 2.2 kJ/mol 39.0554 ± 0.0024 117067-78-4*0 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 Isocyanogen iodide anion [INC]- (g) 123.0 125.2 ± 9.3 kJ/mol 152.92246 ± 0.00080 *66004-32-8*0 Carbon dioxide anion [CO2]- (g) -340.6 -340.1 ± 2.2 kJ/mol 44.01005 ± 0.00100 14485-07-5*0 Cycloprop-1-enylide [CH2(CHC)]- (g) 373.5 369.1 ± 2.2 kJ/mol 39.0565 ± 0.0024 80251-77-0*0 Cyclobutane CH2(CH2CH2CH2) (l) 3.93 ± 0.41 kJ/mol 56.1063 ± 0.0032 287-23-0*590 Isocyanic fluoride FNC (g) 301.3 303.1 ± 1.8 kJ/mol 45.01584 ± 0.00080 16992-26-0*0 Acetic acid CH3C(O)OH (aq, 1000 H2O) -484.90 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*839 Dihydrogen fluoride (HF)(H) (g) -56.5 -54.2 ± 1.7 kJ/mol 21.01428 ± 0.00014 12592-22-2*2 Methylcyclopropane CH3CH(CH2CH2) (l) 1.83 ± 0.59 kJ/mol 56.1063 ± 0.0032 594-11-6*590 1-Ethenylium-1-yl [CCH2]+ (g) 1507.1 1507.1 ± 2.1 kJ/mol 26.0367 ± 0.0016 80541-07-7*0 Methyl acetate CH3C(O)OCH3 (l) -445.66 ± 0.61 kJ/mol 74.0785 ± 0.0025 79-20-9*500 Oxygen atom hexacation [O]+6 (g) 42035.28 42037.14 ± 0.12 kJ/mol 15.99611 ± 0.00030 14158-22-6*0 Hydrogen fluoride HF (aq, 400 H2O) -321.45 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*832 Methyl formate HC(O)OCH3 (l) -388.32 ± 0.96 kJ/mol 60.0520 ± 0.0017 107-31-3*500 Oxygen difluoride anion [FOF]- (g) -202.0 -201.9 ± 2.7 kJ/mol 53.99675 ± 0.00030 *7783-41-7*0 Methanol CH3OH (l) -235.31 -238.64 ± 0.16 kJ/mol 32.04186 ± 0.00090 67-56-1*500 Isodiazene anion [NNH2]- (g) 380.9 374.1 ± 2.1 kJ/mol 30.02991 ± 0.00020 *63986-30-1*0 Dioxiranylidene cation [C(OO)]+ (g) 1409.1 1410.3 ± 2.6 kJ/mol 44.00895 ± 0.00100 *138832-57-2*0 Dioxiranylidene anion [C(OO)]- (g, ?) -110.2 -109.7 ± 3.0 kJ/mol 44.01005 ± 0.00100 *138832-58-3*0 Ethylene glycol (CH2OH)2 (cr,l) -448.69 -455.21 ± 0.38 kJ/mol 62.0678 ± 0.0018 107-21-1*500 Oxalic acid (COOH)2 (cr) -819.29 ± 0.46 kJ/mol 90.0349 ± 0.0020 144-62-7*500 Dimethylamine (CH3)2NH (l) -43.70 ± 0.39 kJ/mol 45.0837 ± 0.0017 124-40-3*500 Peroxyhypochlorous acid anion [HOOCl]- (g, cis quartet) -32.2 -34.0 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*2 Methylamine CH3NH2 (l) -46.98 ± 0.35 kJ/mol 31.05714 ± 0.00088 74-89-5*500 Trimethylamine (CH3)3N (l) -49.8 ± 1.0 kJ/mol 59.1103 ± 0.0025 75-50-3*500 Cyanogen anion [NCCN]- (g) 281.6 284.8 ± 2.2 kJ/mol 52.0354 ± 0.0016 11118-88-0*0 Diisocyanogen cation [CNNC]+ (g, trans) 1825.1 1827.9 ± 3.2 kJ/mol 52.0343 ± 0.0016 *78800-21-2*1 Methanol dimer (CH3OH)2 (g) -398.5 -419.2 ± 1.4 kJ/mol 64.0837 ± 0.0018 42845-44-3*0 Isoprene CH2C(CH3)CHCH2 (cr,l) 48.80 ± 0.70 kJ/mol 68.1170 ± 0.0040 78-79-5*500 n-Hexane CH3CH2CH2CH2CH2CH3 (cr,l) -179.98 -198.64 ± 0.34 kJ/mol 86.1754 ± 0.0049 110-54-3*500 Cyclohexane CH2(CH2CH2CH2CH2CH2) (l) -156.26 ± 0.36 kJ/mol 84.1595 ± 0.0049 110-82-7*500 Hydraziniumyl [NH2NH2]+ (g) 886.6 873.2 ± 2.0 kJ/mol 32.04469 ± 0.00031 20771-51-1*0 Cyanoaminyliumyl [NCN]+ (g) 1671.6 1672.9 ± 2.6 kJ/mol 40.02363 ± 0.00081 316122-03-9*0 Cyanoamidogen anion [NCN]- (g) 210.92 210.93 ± 0.77 kJ/mol 40.02473 ± 0.00081 189879-95-6*0 n-Heptane CH3(CH2)5CH3 (cr,l) -201.72 -224.17 ± 0.48 kJ/mol 100.2019 ± 0.0057 142-82-5*500 Oxadiazirine cation [O(NN)]+ (g) 1509.9 1507.2 ± 2.4 kJ/mol 44.01233 ± 0.00033 *227934-45-4*0 Isocyanogen chloride ClNC (g) 314.5 316.1 ± 2.4 kJ/mol 61.4701 ± 0.0012 75754-69-7*0 n-Octane CH3(CH2)6CH3 (cr,l) -226.64 -249.76 ± 0.67 kJ/mol 114.2285 ± 0.0065 111-65-9*500 Cyanamide H2NCN (cr) 58.89 ± 0.54 kJ/mol 42.04006 ± 0.00082 420-04-2*500 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 1,5-Hexadiene CH2CHCH2CH2CHCH2 (cr,l) 54.43 ± 0.32 kJ/mol 82.1436 ± 0.0049 592-42-7*500 Dioxymethylidyne cation [COO]+ (g, doublet) 1436.6 1439.0 ± 2.7 kJ/mol 44.00895 ± 0.00100 *791121-04-5*2 Peroxychlorous acid HOOClO (g, anti) 103.5 97.6 ± 2.5 kJ/mol 84.4588 ± 0.0013 177778-92-6*2 Hydrazine NH2NH2 (cr,l) 57.25 50.68 ± 0.18 kJ/mol 32.04524 ± 0.00031 302-01-2*500 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 NON cation [NON]+ (g) 1443.9 1444.1 ± 2.8 kJ/mol 44.01233 ± 0.00033 *227934-46-5*0 NON anion [NON]- (g) 495.3 492.8 ± 2.5 kJ/mol 44.01343 ± 0.00033 *227934-47-6*0 Hydrogen chloride HCl (aq, 200 H2O) -166.105 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*830 Dioxygen difluoride OOF2 (g) 75.1 71.6 ± 3.6 kJ/mol 69.99561 ± 0.00060 183051-89-0*0 Difluorodioxidanium [FOOF]+ (g, trans) 1283.6 1279.1 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*1 Hydrogen chloride HCl (aq, 3000 H2O) -166.741 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*842 Trifluorine F3 (g) 80.6 81.9 ± 2.6 kJ/mol 56.9952096 ± 0.0000015 73455-86-4*0 1,1,1-Trichloroethane CH3CCl3 (l) -177.55 ± 0.49 kJ/mol 133.4033 ± 0.0031 71-55-6*500 Dioxymethylidyne cation [(C)(OO)]+ (g, vdW quartet) 1388.2 1391.7 ± 3.2 kJ/mol 44.00895 ± 0.00100 *791121-04-5*101 Cyclopropenylidene anion [C(CHCH)]- (g) 544.2 543.8 ± 2.2 kJ/mol 38.0485 ± 0.0024 *16165-40-5*0 Tetraoxodinitrogen cation [O2NNO2]+ (g) 1030.6 1025.1 ± 2.6 kJ/mol 92.0105 ± 0.0012 64476-91-1*0 Dihydrogen cation [H2]+ (g, ortho) 1489.060 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*1 Carbon dioxide cation [CO2]+ (g, quartet) 1335.0 1335.5 ± 2.4 kJ/mol 44.00895 ± 0.00100 12181-61-2*1 Carbon monoxide anion [CO]- (g) 30.0 33.7 ± 2.3 kJ/mol 28.01065 ± 0.00085 12539-63-8*0 Peroxynitrous acid HOONO (g) -5.81 -11.64 ± 0.36 kJ/mol 63.01288 ± 0.00091 14691-52-2*0 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 Bromosyl bromide BrBrO (g) 178.6 162.8 ± 2.1 kJ/mol 175.8074 ± 0.0020 68322-97-4*0 1,1-Dichloroethene CH2CCl2 (l) -23.81 ± 0.50 kJ/mol 96.9427 ± 0.0024 75-35-4*500 Carbon monoxide CO (g, triplet) 465.579 469.286 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*1 Ammonia anion [NH3]- (g) 94.3 87.3 ± 2.4 kJ/mol 17.03111 ± 0.00022 37353-00-7*0 Trioxirane O(OO) (g) 272.9 270.3 ± 1.3 kJ/mol 47.99820 ± 0.00090 153851-84-4*0 Propane cation [CH3CH2CH3]+ (g) 974.7 954.7 ± 1.7 kJ/mol 44.0951 ± 0.0025 34479-70-4*0 Hydrogen fluoride HF (aq, 18.5 H2O) -321.02 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*887 Hydroxyoxoammoniumyl [HONO]+ (g, trans) 984.1 977.7 ± 1.8 kJ/mol 47.01293 ± 0.00061 80371-48-8*1 Dichloromethane CH2Cl2 (l) -123.06 ± 0.50 kJ/mol 84.9320 ± 0.0020 75-09-2*590 Chlorine chlorite ClOClO (g, cis) 177.4 175.0 ± 2.2 kJ/mol 102.9042 ± 0.0019 105206-44-8*2 Chlorodioxidenium [ClOO]+ (g) 1202.7 1200.4 ± 3.4 kJ/mol 67.4510 ± 0.0011 64710-10-7*0 Hydrochlorate ion [HCl]- (g) -25.2 -24.2 ± 2.5 kJ/mol 36.46119 ± 0.00090 63099-75-2*0 Hydrazoic acid cation [HNNN]+ (g) 1333.61 1327.94 ± 0.83 kJ/mol 43.02761 ± 0.00022 58852-14-5*0 Hydrogen difluoride cation [(HF)(F)]+ (g, triplet) 1267.6 1265.4 ± 4.1 kJ/mol 39.004198 ± 0.000070 *126950-54-7*1 Difluoromethylene anion [CF2]- (g) -211.20 -210.02 ± 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 Perchloryl cation [OCl(O)O]+ (g) 1252.1 1246.3 ± 2.5 kJ/mol 83.4504 ± 0.0013 23594-88-9*0 1-Methyl-1-ethylium-1-yl [CH3CCH3]+ (g) 1058.7 1046.2 ± 2.6 kJ/mol 42.0792 ± 0.0024 121408-19-3*0 Isopropylidene anion [CH3CCH3]- (g) 282.9 268.8 ± 2.7 kJ/mol 42.0803 ± 0.0024 *121408-19-3*0 Hydrazoic acid anion [HNNN]- (g, trans) 309.0 302.7 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*1 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 1,3-Propanediyl CH2CH2CH2 (g, triplet) 320.1 308.2 ± 1.7 kJ/mol 42.0797 ± 0.0024 32458-33-6*1 Difluorovinylidene CCF2 (g) 129.4 130.6 ± 2.2 kJ/mol 62.0182 ± 0.0016 41895-33-4*0 Bromoacetylene HCCBr (g) 281.6 275.1 ± 1.6 kJ/mol 104.9333 ± 0.0019 593-61-3*0 1-Propynylium [CH3CC]+ (g) 1547.0 1545.0 ± 3.1 kJ/mol 39.0554 ± 0.0024 24858-94-4*0 Cycloprop-2-enylide [CH(CHCH)]- (g) 514.8 511.8 ± 2.2 kJ/mol 39.0565 ± 0.0024 20829-57-6*0 Chloro(chlorooxy)methylene ClCOCl (g, trans singlet) 98. 101. ± 15. kJ/mol 98.9155 ± 0.0020 479587-31-0*11 Nitrosyl nitrite anion [ONONO]- (g, t, t) -103.1 -106.2 ± 2.8 kJ/mol 76.01223 ± 0.00091 *122413-35-8*1 Chlorooxomethylium [ClCO]+ (g) 783.7 783.9 ± 2.2 kJ/mol 63.4623 ± 0.0012 38264-03-8*0 Trihydrogen H(HH) (g, 2p 2A2" Ry) 756.931 754.146 ± 0.015 kJ/mol 3.02382 ± 0.00021 12184-91-7*2 2-Iodoethanol ICH2CH2OH (l) -207.2 ± 2.4 kJ/mol 171.9650 ± 0.0017 624-76-0*590 1,3-Butadiyne cation [HCCCCH]+ (g) 1440.18 1442.05 ± 0.86 kJ/mol 50.0581 ± 0.0032 55468-55-8*0 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 Nitrous acid anion [HONO]- (g, cis) -105.85 -110.48 ± 0.78 kJ/mol 47.01403 ± 0.00061 256393-36-9*2 Benzene anion [C6H6]- (g) 209.1 197.2 ± 1.2 kJ/mol 78.1124 ± 0.0048 34562-85-1*0 Tetraoxidanyl HOOOO (g, cis) 53.0 46.0 ± 5.1 kJ/mol 65.0055 ± 0.0012 69696-93-1*2 o-Benzyne C6H4 (g, triplet) 625.6 616.3 ± 1.1 kJ/mol 76.0960 ± 0.0048 462-80-6*1 Hydroxylamine NH2OH (aq, undissoc) -97.1 ± 2.2 kJ/mol 33.02996 ± 0.00037 7803-49-8*1000 1-Propenylium [CH3CHCH]+ (g, cis) 1231.9 1221.6 ± 1.7 kJ/mol 41.0713 ± 0.0024 50457-58-4*2 1-Propenylide [CH3CHCH]- (g, cis) 204.1 192.8 ± 1.8 kJ/mol 41.0723 ± 0.0024 65887-20-9*2 m-Benzyne C6H4 (g) 526.9 518.5 ± 1.2 kJ/mol 76.0960 ± 0.0048 1828-89-3*0 p-Benzyne cation [C6H4]+ (g) 1425.7 1418.5 ± 2.1 kJ/mol 76.0954 ± 0.0048 121058-09-1*0 p-Benzyne C6H4 (g) 587.0 577.6 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*0 Toluene C6H5CH3 (l) 19.73 11.97 ± 0.34 kJ/mol 92.1384 ± 0.0056 108-88-3*500 Cyclopentadienylium [CH(CHCHCHCH)]+ (g) 1087.53 1074.66 ± 0.93 kJ/mol 65.0927 ± 0.0040 29661-18-5*0 Isocyanogen bromide BrNC (g) 341.1 335.4 ± 3.4 kJ/mol 105.9214 ± 0.0013 65997-98-0*0 Dioxodiazoxane ONONO (g, c, p) 125.7 120.4 ± 2.1 kJ/mol 76.01168 ± 0.00091 122413-35-8*3 Cycloheptene CH2(CHCHCH2CH2CH2CH2 (cr,l) -25.6 -46.6 ± 1.7 kJ/mol 96.1702 ± 0.0057 628-92-2*500 Cyclopropylium [CH(CH2CH2)]+ (g) 1104.5 1093.0 ± 2.5 kJ/mol 41.0713 ± 0.0024 1724-43-2*0 Cycloheptatriene CH2(CHCHCHCHCHCH) (cr,l) 153.57 144.79 ± 0.97 kJ/mol 92.1384 ± 0.0056 544-25-2*500 Triiodine I3 (g) 153.4 149.4 ± 3.6 kJ/mol 380.713410 ± 0.000090 12596-31-5*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 Phenylethene C6H5CHCH2 (cr,l) 104.30 ± 0.48 kJ/mol 104.1491 ± 0.0064 100-42-5*500 Phenol C6H5OH (cr,l) -146.43 -162.28 ± 0.66 kJ/mol 94.1112 ± 0.0048 108-95-2*500 Propenediylidene anion [CHCHC]- (g) 588.8 590.0 ± 2.3 kJ/mol 38.0485 ± 0.0024 *161054-36-0*0 Anisole C6H5OCH3 (l) -119.55 ± 0.77 kJ/mol 108.1378 ± 0.0056 100-66-3*500 Benzaldehyde C6H5C(O)H (cr,l) -85.8 -86.9 ± 1.1 kJ/mol 106.1219 ± 0.0056 100-52-7*500 Hydrogen bromide HBr (aq, 1000 H2O) -120.58 ± 0.15 kJ/mol 80.9119 ± 0.0010 10035-10-6*839 Fluorobenzene anion [C6H5F]- (g) -18.3 -30.2 ± 1.8 kJ/mol 96.1029 ± 0.0048 34561-55-2*0 Azide [NNN]- (aq) 272.56 ± 0.48 kJ/mol 42.02077 ± 0.00021 14343-69-2*800 Iodobenzene cation [C6H5I]+ (g) 1022.7 1007.2 ± 1.0 kJ/mol 204.0078 ± 0.0048 38406-85-8*0 Nitrobenzene C6H5N(O)O (cr,l) 6.3 ± 1.4 kJ/mol 123.1094 ± 0.0049 98-95-3*500 Dihydrogen H2 (g, ortho) 1.417 0.019 ± 0.000 kJ/mol 2.01588 ± 0.00014 1333-74-0*1 Nitromethane CH3N(O)O (cr,l) -114.18 -113.00 ± 0.43 kJ/mol 61.0401 ± 0.0010 75-52-5*500 Acetonitrile CH3CN (cr,l) 40.61 ± 0.24 kJ/mol 41.0520 ± 0.0016 75-05-8*500 Oxygen difluoride cation [FOF]+ (g) 1292.11 1289.58 ± 0.66 kJ/mol 53.99566 ± 0.00030 39432-25-2*0 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 Trifluoroethene C2HF3 (g) -482.7 -487.7 ± 8.4 kJ/mol 82.0245 ± 0.0016 359-11-5*0 Norbornadiene (CHCH)(CHCH2CH)(CHCH (l) 204.4 ± 2.0 kJ/mol 92.1384 ± 0.0056 121-46-0*500 2,3-Butanedione (CH3CO)2 (cr,l) -365.57 ± 0.54 kJ/mol 86.0892 ± 0.0033 431-03-8*500 2,3-Butanedione (CH3CO)2 (g) -310.42 -326.98 ± 0.70 kJ/mol 86.0892 ± 0.0033 431-03-8*0 Succinic acid (CH2COOH)2 (cr,l) -918.55 -940.28 ± 0.13 kJ/mol 118.0880 ± 0.0034 110-15-6*500 Deuterium hydride HD (g) 0.328 0.319 ± 0.000 kJ/mol 3.022042 ± 0.000070 13983-20-5*0 1,2-Diiodoethane (CIH2)2 (g) 87.79 73.13 ± 0.90 kJ/mol 281.8621 ± 0.0016 624-73-7*0 1,2-Diiodoethane (CIH2)2 (cr,l) 9.26 ± 0.60 kJ/mol 281.8621 ± 0.0016 624-73-7*500 1,1-Dibromoethane CHBr2CH3 (g) -9.3 -36.3 ± 7.8 kJ/mol 187.8612 ± 0.0026 557-91-5*0 Helium hydride cation [HeH]+ (g) 1350.148 1348.258 ± 0.000 kJ/mol 5.009993 ± 0.000070 17009-49-3*0 Bromoniumyl [HBr]+ (g) 1097.69 1089.84 ± 0.15 kJ/mol 80.9114 ± 0.0010 12258-64-9*0 Xenon hydride cation [XeH]+ (g) 1038.16 1036.38 ± 0.89 kJ/mol 132.2974 ± 0.0200 37276-91-8*0 2-Butanone CH3CH2C(O)CH3 (cr,l) -267.85 -273.34 ± 0.91 kJ/mol 72.1057 ± 0.0033 78-93-3*500 Hydrogen peroxide H2O2 (cr,l) -193.170 -187.353 ± 0.080 kJ/mol 34.01468 ± 0.00062 7722-84-1*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 Acrolein CH2CHCHO (cr,l) -95.8 ± 1.4 kJ/mol 56.0633 ± 0.0024 107-02-8*500 Iodine monochloride ICl (cr) -36.511 -35.537 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*510 Ethenedione cation [OCCO]+ (g) 909.5 912.7 ± 2.7 kJ/mol 56.0197 ± 0.0017 12541-99-0*0 2-Chloro ozone ClO(O)O (g) 265.9 265.3 ± 3.7 kJ/mol 83.4509 ± 0.0013 *141801-66-3*0 Deuterium molecule cation [D2]+ (g) 1492.286 1492.361 ± 0.000 kJ/mol 4.02765497609 ± 0.00000000080 12184-84-8*0 2-Oxo-1-ethylium-1-yl [HCC(O)H]+ (g, syn-quartet) 1292.1 1288.8 ± 2.6 kJ/mol 42.0361 ± 0.0016 214464-96-7*12 Oxoethylidene anion [HCC(O)H]- (g, syn-gauche) 92.4 89.1 ± 2.5 kJ/mol 42.0372 ± 0.0016 106543-38-8*2 Formaldehyde CH2O (aq) -171.19 ± 0.59 kJ/mol 30.02598 ± 0.00087 50-00-0*800 Oxoniumyl ion [H2O]+ (g, ortho) 978.467 975.564 ± 0.028 kJ/mol 18.01473 ± 0.00033 56583-62-1*1 Dioxofluorine cation [OFO]+ (g) 1667.0 1664.8 ± 2.8 kJ/mol 50.99665 ± 0.00060 223566-05-0*0 1-Hydroxyethyl CH3CHOH (g) -42.26 -55.69 ± 0.65 kJ/mol 45.0605 ± 0.0017 2348-46-1*0 Iodine monochloride ICl (l) -24.048 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*590 Oxygen atom trication [O]+3 (g) 10249.929 10252.880 ± 0.018 kJ/mol 15.99775 ± 0.00030 14127-64-1*0 Bromodioxy BrOO (g) 118.1 109.1 ± 4.3 kJ/mol 111.9028 ± 0.0012 67177-47-3*0 Hydrazine monohydrate (NH2NH2)(H2O) (l) -242.66 ± 0.19 kJ/mol 50.06052 ± 0.00053 7803-57-8*500 Hydrogen fluoride HF (aq, 45 H2O) -321.13 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*906 Hydroxymethylene HCOH (g) 112.66 108.90 ± 0.28 kJ/mol 30.02598 ± 0.00087 19710-56-6*0 Peroxyformate [HC(O)OO]- (g, anti) -320.7 -326.6 ± 1.8 kJ/mol 61.0174 ± 0.0012 104960-05-6*2 Fluorosyl fluoride FFO (g, singlet) 227. 225. ± 21. kJ/mol 53.99621 ± 0.00030 86825-57-2*2 Methylaminyliumyl [CH3N]+ (g, doublet ?) 1388.3 1382.0 ± 2.6 kJ/mol 29.04071 ± 0.00083 56924-51-7*1 Peroxyformyl HC(O)OO (g, anti) -90.5 -95.9 ± 1.8 kJ/mol 61.0168 ± 0.0012 56240-83-6*2 Acetylene anion [HCCH]- (g) 356.8 356.7 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*0 Carbon monoxide CO (g, singlet) -113.803 -110.523 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*2 Formylimidogen HC(O)N (g, singlet) 245.4 242.2 ± 3.3 kJ/mol 43.02478 ± 0.00086 42288-92-6*2 2-Hydroxyethylium [CH2CH2OH]+ (g, gauche) 1024.7 1012.1 ± 2.0 kJ/mol 45.0600 ± 0.0017 38607-31-7*1 Fluorine atom F (g, 2P3/2) 77.255 79.040 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*1 Nitrosyl nitrate ONONO2 (g, cis-perp) 60.4 52.5 ± 1.9 kJ/mol 92.0111 ± 0.0012 15969-55-8*2 Tetrabromomethane CBr4 (cr, monoclinic) 48.8 ± 1.4 kJ/mol 331.6267 ± 0.0041 558-13-4*500 Tetraiodomethane CI4 (cr, monoclinic) 392.5 ± 8.0 kJ/mol 519.62858 ± 0.00081 507-25-5*500 Bromomethane CH3Br (l) -56.66 -59.68 ± 0.19 kJ/mol 94.9385 ± 0.0013 74-83-9*590 Trihydrogen H(HH) (g, 2s 2A1' Ry) 745.878 743.094 ± 0.062 kJ/mol 3.02382 ± 0.00021 12184-91-7*1 Hydrogen peroxide cation [H2O2]+ (g, cis, para) 931.41 924.56 ± 0.94 kJ/mol 34.01413 ± 0.00062 12325-10-9*22 Trioxodinitrate anion [ONN(O)O]- (g, non-vdW) -87.3 -93.1 ± 2.2 kJ/mol 76.01223 ± 0.00091 194856-62-7*1 Trihydrogen cation [H3]+ (g, para) 1110.304 1106.697 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*2 Hydroxyoxoammoniumyl [HONO]+ (g, cis) 1014.8 1008.4 ± 2.0 kJ/mol 47.01293 ± 0.00061 80371-48-8*2 Ethynylene C2 (g, singlet) 820.28 826.86 ± 0.26 kJ/mol 24.0214 ± 0.0016 12070-15-4*2 Acetaldehyde CH3CHO (cr,l) -187.12 -191.83 ± 0.32 kJ/mol 44.0526 ± 0.0017 75-07-0*500 Dihydrogen cation [H2]+ (g, para) 1488.364 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*2 Deuteride D- (g) 146.991 148.904 ± 0.0021 kJ/mol 2.01465035791 ± 0.00000000040 14452-69-8*0 Ethynylene C2 (g, triplet) 827.51 834.21 ± 0.26 kJ/mol 24.0214 ± 0.0016 12070-15-4*1 Isocyanogen bromide anion [BrNC]- (g) 105.0 101.8 ± 4.6 kJ/mol 105.9220 ± 0.0013 *238754-53-5*0 Tetraoxodinitrate anion [O2NNO2]- (g) -184.6 -187.8 ± 2.4 kJ/mol 92.0116 ± 0.0012 63552-02-3*0 Dihydrogen H2 (g, para) -0.000 -0.058 ± 0.000 kJ/mol 2.01588 ± 0.00014 1333-74-0*2 Water trimer (H2O)3 (g) -762.73 -776.83 ± 0.21 kJ/mol 54.04584 ± 0.00099 31014-12-7*0 Acetic acid CH3C(O)OH (aq, 500 H2O) -484.88 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*833 Propylene cation [CH3CHCH2]+ (g) 975.23 961.70 ± 0.21 kJ/mol 42.0792 ± 0.0024 34504-10-4*0 Dioxaziridine HN(OO) (g) 277.3 270.6 ± 2.0 kJ/mol 47.01348 ± 0.00061 67394-35-8*0 Difluorine cation [F2]+ (g) 1514.301 1514.475 ± 0.013 kJ/mol 37.9962578 ± 0.0000010 12184-86-0*0 Cyclopropane cation [CH2(CH2CH2)]+ (g) 1022.3 1006.9 ± 1.6 kJ/mol 42.0792 ± 0.0024 34496-93-0*0 Acetic acid CH3C(O)OH (aq, 10000 H2O) -484.93 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*850 Hydrogen peroxide cation [H2O2]+ (g, trans, ortho) 897.75 890.77 ± 0.37 kJ/mol 34.01413 ± 0.00062 12325-10-9*11 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 Ethyl bromide CH3CH2Br (l) -55.82 -91.35 ± 0.27 kJ/mol 108.9651 ± 0.0019 74-96-4*500 Nitrous acid anion [HONO]- (g, trans) -105.5 -109.4 ± 1.8 kJ/mol 47.01403 ± 0.00061 256393-36-9*1 Methyl acetate CH3C(O)OCH3 (g) -394.20 -413.07 ± 0.61 kJ/mol 74.0785 ± 0.0025 79-20-9*0 Tetroxidane HOOOOH (g) -34.2 -44.6 ± 2.4 kJ/mol 66.0135 ± 0.0012 29683-94-1*0 Vinyl iodide CH2CHI (g) 139.5 130.7 ± 1.2 kJ/mol 153.9497 ± 0.0016 593-66-8*0 Iodine atom I (g, 2P1/2) 198.109 197.709 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*2 Peroxyhypochlorous acid cation [HOOCl]+ (g, cis) 1050.8 1045.1 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*2 Difluorovinylidene cation [CCF2]+ (g) 1181.5 1183.0 ± 2.3 kJ/mol 62.0177 ± 0.0016 268566-71-8*0 Dioxofluorine anion [OFO]- (g) 155.9 154.3 ± 2.5 kJ/mol 50.99775 ± 0.00060 *175861-93-5*0 mu-Oxodichlorate anion [ClOCl]- (g) -147.8 -147.7 ± 2.5 kJ/mol 86.9053 ± 0.0018 365546-30-1*0 Hydrazoic acid anion [HNNN]- (g, cis) 316.1 310.0 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*2 Hydroxylamine NH2OH (g) -33.23 -43.60 ± 0.46 kJ/mol 33.02996 ± 0.00037 7803-49-8*0 Oxygen atom octacation [O]+8 (g) 197447.75 197449.60 ± 0.12 kJ/mol 15.99501 ± 0.00030 21450-98-6*0 Chloro(chlorooxy)methylene ClCOCl (g, trans triplet) 101.1 104.7 ± 4.8 kJ/mol 98.9155 ± 0.0020 479587-31-0*12 Difluorodioxidanium [FOOF]+ (g, cis) 1287.1 1283.0 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*2 Oxygen atom pentacation [O]+5 (g) 28708.788 28710.646 ± 0.053 kJ/mol 15.99666 ± 0.00030 14127-66-3*0 Nitrosyl nitrite anion [ONONO]- (g, t, c) -100.3 -103.5 ± 2.9 kJ/mol 76.01223 ± 0.00091 *122413-35-8*2 Dihydrogen anion [H2]- (g) 253.8 254.7 ± 1.2 kJ/mol 2.01643 ± 0.00014 12184-89-3*0 Methyl formate HC(O)OCH3 (g) -346.70 -359.74 ± 0.94 kJ/mol 60.0520 ± 0.0017 107-31-3*0 2-Propen-1-ylium-1-ylidene [CH2CHC]+ (g) 1373.2 1369.6 ± 2.0 kJ/mol 39.0554 ± 0.0024 88000-25-3*0 Carbon suboxide OCCCO (cr,l) -131.7 -116.6 ± 1.3 kJ/mol 68.0309 ± 0.0025 504-64-3*500 1-Methylethenylium [CH3CCH2]+ (g) 995.2 986.1 ± 2.0 kJ/mol 41.0713 ± 0.0024 50457-57-3*0 Trioxygen difluoride FOOOF (g) 112.2 107.1 ± 1.1 kJ/mol 85.99501 ± 0.00090 16829-28-0*0 1-Methylethenyl anion [CH3CCH2]- (g) 199.4 188.3 ± 2.0 kJ/mol 41.0723 ± 0.0024 65887-19-6*0 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g, anti) 49.5 42.5 ± 2.5 kJ/mol 84.4588 ± 0.0013 928652-99-7*2 Hydroxylamine NH2OH (cr,l) -107.61 ± 0.63 kJ/mol 33.02996 ± 0.00037 7803-49-8*500 Acetoxy CH3C(O)O (g, 2A") -182.5 -191.3 ± 1.2 kJ/mol 59.0440 ± 0.0017 13799-69-4*1 Water H2O (g, para) -238.931 -241.835 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*2 m-Benzyne C6H4 (g, triplet) 614.6 605.2 ± 1.4 kJ/mol 76.0960 ± 0.0048 1828-89-3*1 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) -366.715 ± 0.062 kJ/mol 35.04584 ± 0.00047 1336-21-6*1000 1-Propenylium [CH3CHCH]+ (g, trans) 1233.8 1223.4 ± 2.0 kJ/mol 41.0713 ± 0.0024 50457-58-4*1 Acetoxy CH3C(O)O (g) -182.5 -191.2 ± 1.2 kJ/mol 59.0440 ± 0.0017 13799-69-4*0 Water H2O (cr) -286.301 -292.742 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*510 Chlorine atom Cl (g, 2P3/2) 119.621 121.228 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*1 1-Propenylide [CH3CHCH]- (g, trans) 210.5 199.4 ± 2.1 kJ/mol 41.0723 ± 0.0024 65887-20-9*1 Hydrogen iodide HI (aq) -56.827 ± 0.089 kJ/mol 127.912410 ± 0.000076 10034-85-2*800 sec-Butylium [CH3CH2CHCH3]+ (g) 792.8 769.2 ± 1.7 kJ/mol 57.1137 ± 0.0033 16548-59-7*0 mu-Oxodichlorine cation [ClOCl]+ (g) 1130.44 1126.83 ± 0.63 kJ/mol 86.9043 ± 0.0018 51174-96-0*0 Tropylide [CH(CHCHCHCHCHCH)]- (g) 260.9 244.6 ± 2.0 kJ/mol 91.1310 ± 0.0056 34464-18-1*0 Hydrazoic acid HNNN (aq, undissoc) 257.57 ± 0.48 kJ/mol 43.02816 ± 0.00022 7782-79-8*1000 Hydrogen peroxide H2O2 (g, para) -129.478 -135.464 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*2 Methylene CH2 (g) 391.063 391.621 ± 0.099 kJ/mol 14.02658 ± 0.00081 2465-56-7*0 Oxygen atom tetracation [O]+4 (g) 17719.207 17721.064 ± 0.025 kJ/mol 15.99721 ± 0.00030 14127-65-2*0 Hydrazoic acid HNNN (aq) 272.56 ± 0.48 kJ/mol 43.02816 ± 0.00022 7782-79-8*800 1-Propen-1-yl-3-ylidene CHCHCH (g, quartet) 657.4 654.0 ± 1.5 kJ/mol 39.0559 ± 0.0024 84654-90-0*1 Oxygen atom heptacation [O]+7 (g) 113369.48 113371.34 ± 0.12 kJ/mol 15.99556 ± 0.00030 14274-89-6*0 Tribromide [Br3]- (aq) -129.55 ± 0.25 kJ/mol 239.7125 ± 0.0030 14522-80-6*800 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 Trihydrogen (H)(HH) (g, vdW) 215.9 218.3 ± 1.1 kJ/mol 3.02382 ± 0.00021 12184-91-7*100 Oxonium [H3O]+ (g, para) 605.83 599.08 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*2 Bicyclo[1.1.0]buta-1,3-dien-2-yl anion [C(CC)C]- (g) 803.6 811.3 ± 2.1 kJ/mol 48.0433 ± 0.0032 289679-89-6*0 cis-1,2-Diiodoethene C2H2I2 (g) 215.70 207.42 ± 0.44 kJ/mol 279.8462 ± 0.0016 590-26-1*0 trans-1,2-Diiodoethene C2H2I2 (g) 214.81 207.42 ± 0.44 kJ/mol 279.8462 ± 0.0016 590-27-2*0 Polyoxymethylene CH2O (cr, polyoxymethylene) -170.88 ± 0.21 kJ/mol 30.02598 ± 0.00087 9002-81-7*500 Peroxyhypochlorous acid anion [HOOCl]- (g, trans quartet) -2.9 -3.3 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*1 Trioxirane cation [O(OO)]+ (g) 1444.6 1442.4 ± 2.2 kJ/mol 47.99765 ± 0.00090 *153851-84-4*0 1,2-Dibromoethane (CBrH2)2 (cr,l) -80.3 ± 1.3 kJ/mol 187.8612 ± 0.0026 106-93-4*500 Diatomic bromine cation [Br2]+ (g) 1060.32 1045.36 ± 0.23 kJ/mol 159.8075 ± 0.0020 12595-71-0*0 Tribromine cation [Br3]+ (g) 1035.9 1013.2 ± 2.6 kJ/mol 239.7115 ± 0.0030 33105-86-1*0 Chlorine trifluoride cation [FCl(F)F]+ (g) 1053.4 1049.1 ± 2.5 kJ/mol 92.44736 ± 0.00090 478167-77-0*0 Cyclopentadiene CH2(CHCHCHCH) (l) 109.80 ± 0.58 kJ/mol 66.1011 ± 0.0040 542-92-7*590 Isocyanogen cation [CNCN]+ (g) 1653.1 1655.4 ± 1.6 kJ/mol 52.0343 ± 0.0016 133415-63-1*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 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-cis, syn) -43.1 -59.6 ± 2.3 kJ/mol 70.0898 ± 0.0032 59120-04-6*21 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-trans) -53.8 -69.1 ± 1.6 kJ/mol 70.0898 ± 0.0032 59120-04-6*1 Acrolein CH2CHCHO (g) -55.3 -65.4 ± 1.2 kJ/mol 56.0633 ± 0.0024 107-02-8*0 Oxygen atom dication [O]+2 (g) 4949.459 4953.000 ± 0.013 kJ/mol 15.99830 ± 0.00030 14127-63-0*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 Nitrogen atom N (g, quartet) 470.579 472.442 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*1 2-Propynal cation [CHCCHO]+ (g) 1168.3 1167.2 ± 1.6 kJ/mol 54.0468 ± 0.0024 100815-70-1*0 1,3-Butadiynyl anion [CCCC]- (g) 677.7 686.8 ± 1.2 kJ/mol 48.0433 ± 0.0032 59158-53-1*0 Ethenedione anion [OCCO]- (g) -148.1 -145.6 ± 2.9 kJ/mol 56.0207 ± 0.0017 77783-15-4*0 Diisocyanogen cation [CNNC]+ (g, cis) 1838.4 1842.3 ± 3.1 kJ/mol 52.0343 ± 0.0016 *78800-21-2*2 Fluorosyl fluoride cation [FFO]+ (g) 1413.0 1413.4 ± 3.5 kJ/mol 53.99566 ± 0.00030 *86825-50-5*0 Ethoxyethene CH2CHOCH2CH3 (g) -117.3 -135.8 ± 1.5 kJ/mol 72.1057 ± 0.0033 109-92-2*0 Peroxyformic acid HC(O)OOH (g) -279.34 -288.47 ± 0.90 kJ/mol 62.0248 ± 0.0012 107-32-4*0 Hydrogen peroxide H2O2 (g, ortho) -129.458 -135.464 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*1 Trioxidaniumyl [HOOOH]+ (g) 925.4 916.5 ± 1.5 kJ/mol 50.01353 ± 0.00091 161321-37-5*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 Ethenol CH2CHOH (g) -112.71 -123.14 ± 0.66 kJ/mol 44.0526 ± 0.0017 557-75-5*0 Vinyl alcohol cation [CH2CHOH]+ (g) 778.9 767.9 ± 1.4 kJ/mol 44.0520 ± 0.0017 57239-63-1*0 Dichloromethylene CCl2 (g) 229.49 230.67 ± 0.64 kJ/mol 82.9161 ± 0.0020 1605-72-7*0 Trioxygen difluoride FOOOF (g, cis) 113.4 107.6 ± 2.1 kJ/mol 85.99501 ± 0.00090 16829-28-0*2 Isocyanic fluoride cation [FNC]+ (g) 1618.4 1619.0 ± 4.0 kJ/mol 45.01529 ± 0.00080 *16992-26-0*0 Diiodine cation [I2]+ (g) 963.523 960.408 ± 0.018 kJ/mol 253.808391 ± 0.000060 28712-14-3*0 Diazene anion [HNNH]- (g, trans-cis-iso equilib) 265.5 258.7 ± 2.0 kJ/mol 30.02991 ± 0.00020 100429-75-2*0 Peroxychlorous acid HOOClO (g, perp ?) 102.3 96.2 ± 3.7 kJ/mol 84.4588 ± 0.0013 177778-92-6*3 Ethoxyethene CH2CHOCH2CH3 (g, cis-perp) -110.8 -134.7 ± 2.3 kJ/mol 72.1057 ± 0.0033 109-92-2*21 Ethoxyethene CH2CHOCH2CH3 (g, trans-trans) -110.3 -132.5 ± 2.7 kJ/mol 72.1057 ± 0.0033 109-92-2*1 Ethoxyethene CH2CHOCH2CH3 (g, trans-perp) -108.2 -131.4 ± 2.3 kJ/mol 72.1057 ± 0.0033 109-92-2*11 O--HH Complex (H2)(O) (g, vdW C2v ?) 247.2 248.2 ± 2.0 kJ/mol 18.01528 ± 0.00033 *7732-18-5*102 Fluorosyl fluoride anion [FFO]- (g) -147.2 -146.9 ± 3.0 kJ/mol 53.99675 ± 0.00030 *86825-57-2*0 Tetraoxidanyl HOOOO (g) 2.0 0.2 ± 3.0 kJ/mol 65.0055 ± 0.0012 69696-93-1*0 Diisocyanogen anion [CNNC]- (g) 456.6 462.3 ± 3.6 kJ/mol 52.0354 ± 0.0016 *78800-22-3*0 Cyclopropane CH2(CH2CH2) (l) 41.42 35.74 ± 0.54 kJ/mol 42.0797 ± 0.0024 75-19-4*500 Iminomethyl HCNH (g) 275.82 272.22 ± 0.71 kJ/mol 28.03332 ± 0.00082 15691-95-9*0 Chlorine atom Cl (g, 2P1/2) 130.176 131.783 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*2 Diazene HNNH (g, trans-cis-iso equilib) 207.09 199.96 ± 0.44 kJ/mol 30.02936 ± 0.00020 3618-05-1*0 Hydroperoxonium [H2OOH]+ (g) 738.1 727.8 ± 1.2 kJ/mol 35.02207 ± 0.00064 70850-26-9*0 Imidogen NH (g, triplet) 358.75 358.79 ± 0.17 kJ/mol 15.014680 ± 0.000099 13774-92-0*1 Perchloric acid cation [HOCl(O)(O)O]+ (g) 1191.8 1182.2 ± 3.5 kJ/mol 100.4577 ± 0.0015 91712-47-9*0 Iminomethyl anion [HCNH]- (g) 237.4 233.6 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*0 Hydrodioxonitrate [HN(O)O]- (g) -62.3 -68.8 ± 3.3 kJ/mol 47.01403 ± 0.00061 61508-71-2*0 Diisocyanogen cation [CNNC]+ (g) 1825.1 1828.3 ± 3.2 kJ/mol 52.0343 ± 0.0016 *78800-21-2*0 Oxoethylidene anion [HCC(O)H]- (g) 87.0 84.3 ± 2.3 kJ/mol 42.0372 ± 0.0016 106543-38-8*0 Ethynol anion [HCCOH]- (g) 163.6 165.0 ± 3.4 kJ/mol 42.0372 ± 0.0016 864971-50-6*0 Ethynol HCCOH (g, t-t triplet) 409.5 406.4 ± 3.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*13 Isocyanogen chloride cation [ClNC]+ (g) 1480.8 1482.0 ± 3.9 kJ/mol 61.4696 ± 0.0012 956475-91-5*0 Ethynol HCCOH (g, c-c triplet) 464.3 461.0 ± 3.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*15 Chloromethylene CHCl (g) 320.26 320.54 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*0 1-Methylethylidene CH3CCH3 (g) 316.5 303.6 ± 2.1 kJ/mol 42.0797 ± 0.0024 40852-89-9*0 Chlorous acid cation [HOClO]+ (g) 996.6 991.5 ± 3.1 kJ/mol 68.4589 ± 0.0011 *99559-66-7*0 Propylidene anion [CH3CH2CH]- (g) 300.8 286.7 ± 3.3 kJ/mol 42.0803 ± 0.0024 *121408-55-7*0 Diazanide [NH2NH]- (g) 249.4 239.3 ± 3.1 kJ/mol 31.03785 ± 0.00025 25415-88-7*0 Dioxohydrazine ONNO (g, trans) 192.2 188.7 ± 1.8 kJ/mol 60.01228 ± 0.00062 16824-89-8*1 Oxoniumyl ion [H2O]+ (g, para) 978.717 975.566 ± 0.028 kJ/mol 18.01473 ± 0.00033 56583-62-1*2 Difluorovinylidene anion [CCF2]- (g) -88.2 -87.1 ± 2.3 kJ/mol 62.0188 ± 0.0016 107693-92-5*0 Nitrato [ON(O)O]+ (g) 1290.61 1285.90 ± 0.86 kJ/mol 62.00439 ± 0.00090 133057-96-2*0 Dibromovinylidene CCBr2 (g) 509.9 498.8 ± 4.1 kJ/mol 183.8294 ± 0.0026 261771-36-2*0 Fluorovinylidene CCHF (g) 298.9 300.0 ± 3.1 kJ/mol 44.0277 ± 0.0016 70302-00-0*0 Ethynol HCCOH (g, t-c triplet) 406.6 403.3 ± 3.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*12 Bromovinylidene CCHBr (g) 466.0 460.0 ± 3.8 kJ/mol 104.9333 ± 0.0019 161957-27-3*0 Ethynol HCCOH (g) 95.3 92.8 ± 1.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*0 Dinitrogen tetraoxide O2NNO2 (cr,l) -37.86 -27.01 ± 0.19 kJ/mol 92.0111 ± 0.0012 10544-72-6*500 Chlorohydroxymethyl CH(Cl)OH (g) -55.0 -60.8 ± 1.1 kJ/mol 65.4787 ± 0.0012 147139-06-8*0 Water dimer cation [(H2O)2]+ (g) 556.8 546.4 ± 3.0 kJ/mol 36.03001 ± 0.00066 158061-35-9*0 Aminomethylidyne anion [CNH2]- (g, triplet) 481.6 478.0 ± 3.2 kJ/mol 28.03387 ± 0.00082 96808-04-7*1 Fluoro(fluorooxy)methylene FCOF (g) -134.8 -136.0 ± 1.3 kJ/mol 66.00691 ± 0.00085 479587-30-9*0 Imidogen NH (g, singlet) 509.34 509.39 ± 0.18 kJ/mol 15.014680 ± 0.000099 13774-92-0*2 Hydrogen peroxide cation [H2O2]+ (g) 897.75 890.77 ± 0.37 kJ/mol 34.01413 ± 0.00062 12325-10-9*0 Nitrosyl nitrate ONONO2 (g) 48.3 40.4 ± 1.8 kJ/mol 92.0111 ± 0.0012 15969-55-8*0 Hydrogen cyanide anion [HCN]- (g) 129.510 129.031 ± 0.090 kJ/mol 27.02593 ± 0.00081 12334-27-9*0 Chlorous acid anion [HOClO]- (g) -154.3 -156.2 ± 3.3 kJ/mol 68.4600 ± 0.0011 99559-66-7*0 Tetraoxidanyl HOOOO (g, trans) 76.7 69.5 ± 6.1 kJ/mol 65.0055 ± 0.0012 69696-93-1*1 Chlorine trifluoride anion [FCl(F)F]- (g) -480.4 -481.9 ± 3.6 kJ/mol 92.44846 ± 0.00090 184289-50-7*0 Phosgene cation [CCl2O]+ (g) 897.1 896.0 ± 1.7 kJ/mol 98.9150 ± 0.0020 73249-38-4*0 Phosgene CCl2O (cr, l, I+liquid) -242.73 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*501 Phosgene CCl2O (cr, l, II+liquid) -255.44 -242.73 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*502 Oxiranylium [CH2(CHO)]+ (g) 901.2 893.2 ± 1.5 kJ/mol 43.0441 ± 0.0016 57789-76-1*0 Chloro(chlorooxy)methylene ClCOCl (g) 73.5 73.9 ± 3.6 kJ/mol 98.9155 ± 0.0020 479587-31-0*0 Chloro(chlorooxy)methylene ClCOCl (g, trans) 98. 105. ± 15. kJ/mol 98.9155 ± 0.0020 479587-31-0*1 Nitrogen atom N (g, doublet) 700.555 702.458 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*2 Fluorine atom F (g, 2P1/2) 82.090 83.875 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*2 mu-Oxodioxodinitrogen [ONONO]+ (g, t, t) 984.0 981.0 ± 3.2 kJ/mol 76.01113 ± 0.00091 87950-63-8*1 Oxiranyl anion [CH2(CHO)]- (g) 121.1 113.2 ± 1.6 kJ/mol 43.0452 ± 0.0016 72722-59-9*0 Chlorohydroxymethylene ClCOH (g, cis) 14.3 11.4 ± 3.2 kJ/mol 64.4707 ± 0.0012 147723-60-2*2 Chlorohydroxymethylene ClCOH (g) 13.9 11.2 ± 2.6 kJ/mol 64.4707 ± 0.0012 147723-60-2*0 Chloroethane CH3CH2Cl (cr,l) -134.28 -135.90 ± 0.27 kJ/mol 64.5138 ± 0.0019 75-00-3*500 (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 1-Propen-1-yl-3-ylidene CHCHCH (g) 657.4 654.0 ± 1.5 kJ/mol 39.0559 ± 0.0024 84654-90-0*0 1-Methoxyethenol CH2C(OH)OCH3 (g) -284.7 -303.1 ± 1.7 kJ/mol 74.0785 ± 0.0025 4453-91-2*0 Chloroformyl anion [ClCO]- (g) -356.5 -352.9 ± 3.3 kJ/mol 63.4633 ± 0.0012 41976-93-6*0 Nitrogen sesquioxide cation [ONN(O)O]+ (g, vdW) 1027.6 1023.7 ± 4.8 kJ/mol 76.01113 ± 0.00091 *10544-73-7*0 Propynylidene HCCCH (g, singlet) 597.6 599.4 ± 1.3 kJ/mol 38.0480 ± 0.0024 67152-18-5*2 Formic acid cation [HC(O)OH]+ (g) 721.90 715.36 ± 0.26 kJ/mol 46.0248 ± 0.0010 50614-05-6*0 Oxoiodonium [IO]+ (g) 1066.1 1064.1 ± 1.9 kJ/mol 142.90332 ± 0.00030 81182-81-2*0 Oxide [O]-2 (g) 651. 653. ± 15. kJ/mol 16.00050 ± 0.00030 16833-27-5*0 Dioxymethylene HCOO (g) 341.8 339.8 ± 3.0 kJ/mol 45.0174 ± 0.0010 438586-67-5*0 Hydrazoic acid anion [HNNN]- (g) 309.0 303.1 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*0 Formic acid anion [HC(O)OH]- (g) -256.2 -262.3 ± 1.8 kJ/mol 46.0259 ± 0.0010 19066-82-1*0 2-Iodoethanol ICH2CH2OH (g) -132.0 -150.2 ± 2.5 kJ/mol 171.9650 ± 0.0017 624-76-0*0 Propargylenide [HCCCH]- (g) 434.4 437.6 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*0 Dioxohydrazine ONNO (g) 172.89 171.13 ± 0.14 kJ/mol 60.01228 ± 0.00062 16824-89-8*0 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g) 49.1 42.3 ± 1.9 kJ/mol 84.4588 ± 0.0013 928652-99-7*0 Peroxyhypochlorous acid cation [HOOCl]+ (g) 1030.3 1024.5 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*0 2-Hydroxyethyl CH2CH2OH (g) -13.04 -26.30 ± 0.61 kJ/mol 45.0605 ± 0.0017 4422-54-2*0 Methylaminyliumyl [CH3N]+ (g, quartet) 1423.0 1416.1 ± 2.6 kJ/mol 29.04071 ± 0.00083 56924-51-7*2 Isoformyl anion [COH]- (g) 55.7 58.4 ± 1.8 kJ/mol 29.01859 ± 0.00086 81747-63-9*0 Carbonylmethyloxonium [CH3OCO]+ (g) 561.4 553.1 ± 3.2 kJ/mol 59.0435 ± 0.0017 24434-00-2*0 Nitrous acid anion [HONO]- (g) -105.85 -109.32 ± 0.78 kJ/mol 47.01403 ± 0.00061 256393-36-9*0 Isocyanic acid anion [HNCO]- (g) -54.2 -57.3 ± 3.0 kJ/mol 43.02533 ± 0.00086 *444010-28-0*0 Methoxyoxomethyl CH3OCO (g) -152.6 -160.2 ± 1.5 kJ/mol 59.0440 ± 0.0017 16481-04-2*0 Diazene anion [HNNH]- (g, trans-cis equilib) 265.5 258.7 ± 2.0 kJ/mol 30.02991 ± 0.00020 100429-75-2*1 Hydrazoic acid HNNN (cr,l) 261.44 ± 0.65 kJ/mol 43.02816 ± 0.00022 7782-79-8*500 Hydrodioxonitrogen cation [HN(O)O]+ (g) 1129.7 1123.1 ± 3.2 kJ/mol 47.01293 ± 0.00061 252986-76-8*0 Hydroxymethylene cation [HCOH]+ (g) 971.9 968.3 ± 1.4 kJ/mol 30.02543 ± 0.00087 135395-06-1*0 Ethylidene CH3CH (g) 361.35 354.37 ± 0.76 kJ/mol 28.0532 ± 0.0016 4218-50-2*0 Dioxodiazoxane ONONO (g) 93.0 88.1 ± 1.3 kJ/mol 76.01168 ± 0.00091 122413-35-8*0 Methoxyoxomethyl CH3OCO (g, syn-staggered) -151.8 -160.8 ± 2.3 kJ/mol 59.0440 ± 0.0017 16481-04-2*2 Cyanic acid cation [HOCN]+ (g) 1135.9 1133.3 ± 2.9 kJ/mol 43.02423 ± 0.00086 59780-31-3*0 Methoxyoxomethyl CH3OCO (g, anti-eclipsed) -151.7 -159.8 ± 2.3 kJ/mol 59.0440 ± 0.0017 16481-04-2*3 Fluorosyl fluoride FFO (g) 192.6 193.1 ± 2.3 kJ/mol 53.99621 ± 0.00030 86825-57-2*0 Cyanic acid anion [HOCN]- (g) -9.1 -9.4 ± 3.1 kJ/mol 43.02533 ± 0.00086 58199-47-6*0 Acetyloxoniumylidene [CH3C(O)O]+ (g, triplet) 891.9 883.5 ± 3.0 kJ/mol 59.0435 ± 0.0017 67057-47-0*1 Peroxyformyl HC(O)OO (g) -100.46 -105.57 ± 0.93 kJ/mol 61.0168 ± 0.0012 56240-83-6*0 Diazene HNNH (g, trans-cis equilib) 207.09 199.96 ± 0.44 kJ/mol 30.02936 ± 0.00020 3618-05-1*1 Hydrazine anion [NH2NH2]- (g) 232.1 217.8 ± 4.1 kJ/mol 32.04579 ± 0.00031 65391-88-0*0 Hydroxymethylene anion [HCOH]- (g) 147.1 144.2 ± 1.6 kJ/mol 30.02653 ± 0.00087 207914-87-2*0 Cyanic fluoride cation [FCN]+ (g) 1294.5 1294.9 ± 1.1 kJ/mol 45.01529 ± 0.00080 62532-69-8*0 Peroxyformate [HC(O)OO]- (g) -341.00 -346.45 ± 0.96 kJ/mol 61.0174 ± 0.0012 104960-05-6*0 Cyanogen iodide cation [ICN]+ (g) 1271.5 1271.3 ± 1.6 kJ/mol 152.92136 ± 0.00080 34749-78-5*0 Trihydrogen HHH (g, TS) 254.5 250.7 ± 1.2 kJ/mol 3.02382 ± 0.00021 12184-91-7*200 Methylaminyliumyl [CH3N]+ (g ?) 1388.3 1382.0 ± 2.6 kJ/mol 29.04071 ± 0.00083 56924-51-7*0 Pentachloroethylium [CCl3CCl2]+ (g) 836.1 834.5 ± 3.3 kJ/mol 201.2844 ± 0.0048 *7094-17-9*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 Pentachloroethanide [CCl3CCl2]- (g) -283.8 -282.3 ± 3.9 kJ/mol 201.2854 ± 0.0048 263019-83-6*0 Isofulminic acid cation [HONC]+ (g) 1377.1 1375.0 ± 2.9 kJ/mol 43.02423 ± 0.00086 117800-60-9*0 Hydrogen isocyanide anion [HNC]- (g) 191.54 191.72 ± 0.37 kJ/mol 27.02593 ± 0.00081 96913-22-3*0 Hydroxyamidogen HNOH (g) 101.6 94.7 ± 1.1 kJ/mol 32.02202 ± 0.00034 13940-32-4*0 Cyclopentadienide [CH(CHCHCHCH)]- (g) 100.0 87.0 ± 1.1 kJ/mol 65.0937 ± 0.0040 12127-83-2*0 Cyanogen bromide cation [BrCN]+ (g) 1331.2 1324.9 ± 1.1 kJ/mol 105.9209 ± 0.0013 34749-77-4*0 Trihydrogen H(HH) (g, TS) 477.4 474.7 ± 2.3 kJ/mol 3.02382 ± 0.00021 12184-91-7*201 (Formyloxy)methyl HC(O)OCH2 (g) -151.8 -159.9 ± 1.3 kJ/mol 59.0440 ± 0.0017 3122-12-1*0 Carboxymethyl CH2C(O)OH (g) -227.3 -237.1 ± 1.2 kJ/mol 59.0440 ± 0.0017 2887-46-9*0 trans-Cycloheptene CH2(CHCHCH2CH2CH2CH2 (g) 141.5 103.5 ± 1.9 kJ/mol 96.1702 ± 0.0057 45509-99-7*0 Cyanic fluoride anion [FCN]- (g) -20.4 -18.4 ± 2.9 kJ/mol 45.01639 ± 0.00080 34507-50-1*0 Nitrosyl nitrite anion [ONONO]- (g) -103.1 -106.2 ± 2.8 kJ/mol 76.01223 ± 0.00091 *122413-35-8*0 Diazene cation [HNNH]+ (g, trans-iso-cis equilib) 1132.46 1125.81 ± 0.66 kJ/mol 30.02881 ± 0.00020 76986-17-9*0 Hydrogen peroxide H2O2 (aq) -190.76 ± 0.30 kJ/mol 34.01468 ± 0.00062 7722-84-1*800 Iodine monochloride ICl (cr,l) -36.511 -35.537 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*500 Formylimidogen HC(O)N (g, triplet) 245.3 242.2 ± 4.6 kJ/mol 43.02478 ± 0.00086 42288-92-6*1 2-Methoxy-2-oxoethyl CH2C(O)OCH3 (g) -203.4 -218.6 ± 1.6 kJ/mol 73.0706 ± 0.0025 54668-31-4*0 Water H2O (cr, l, eq.press.) -286.303 -285.831 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*499 Oxonium [H3O]+ (aq) -285.829 ± 0.027 kJ/mol 19.02267 ± 0.00037 13968-08-6*800 Isocyanic fluoride anion [FNC]- (g) 74.3 76.0 ± 5.7 kJ/mol 45.01639 ± 0.00080 357426-78-9*0 Dicarbon monoxide CCO (g) 377.29 381.33 ± 0.98 kJ/mol 40.0208 ± 0.0016 12071-23-7*0 3-Chloro-3-methyl-3H-diazirine (NNC)ClCH3 (g) 230. 218. ± 40. kJ/mol 90.5114 ± 0.0019 4222-21-3*0 Phenol cation [C6H5OH]+ (g) 746.18 727.39 ± 0.65 kJ/mol 94.1107 ± 0.0048 40932-22-7*0 Phenol anion [C6H5OH]- (g) 22.8 7.9 ± 4.9 kJ/mol 94.1118 ± 0.0048 38752-11-3*0 (Acetyloxy)methyl CH3C(O)OCH2 (g) -200.6 -214.3 ± 1.6 kJ/mol 73.0706 ± 0.0025 2887-49-2*0 Isocyanogen bromide cation [BrNC]+ (g) 1469.9 1464.2 ± 5.9 kJ/mol 105.9209 ± 0.0013 238754-53-5*0 COC vdW (CO)(C) (g) 590.0 598.7 ± 1.7 kJ/mol 40.0208 ± 0.0016 *12071-24-8*0 Ethynol HCCOH (g, c-t triplet) 455.7 452.3 ± 3.2 kJ/mol 42.0367 ± 0.0016 32038-79-2*14 1,2-Dichloroethene CHClCHCl (g) 3.46 -1.86 ± 0.54 kJ/mol 96.9427 ± 0.0024 540-59-0*0 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 Benzaldehyde cation [C6H5C(O)H]+ (g) 896.7 880.1 ± 1.9 kJ/mol 106.1214 ± 0.0056 80226-59-1*0 Benzaldehyde anion [C6H5C(O)H]- (g) -60.3 -77.9 ± 1.2 kJ/mol 106.1225 ± 0.0056 34473-57-9*0 Water H2O (cr, eq.press.) -286.303 -292.744 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*509 Trihydrogen cation [H3]+ (g, ortho) 1110.577 1106.695 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*1 Isocyanomethane CH3NC (cr,l) 146.5 ± 2.3 kJ/mol 41.0520 ± 0.0016 593-75-9*500 Nitrogen atom anion N- (g) 487.6 489.9 ± 2.5 kJ/mol 14.007289 ± 0.000070 17778-87-9*0 Oxonium [H3O]+ (g, ortho) 605.90 599.08 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*1 Diazoethenylidene cation [NNCC]+ (g) 1771.3 1773.3 ± 3.5 kJ/mol 52.0343 ± 0.0016 *130760-10-0*0 C=O-C cation [COC]+ (g) 1576.2 1583.3 ± 2.4 kJ/mol 40.0203 ± 0.0016 83483-98-1*0 2-Cyclopropyn-1-ylidene C(CC) (g) 898.9 905.8 ± 1.6 kJ/mol 36.0321 ± 0.0024 102508-15-6*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 Cyanogen chloride cation [ClCN]+ (g) 1326.02 1327.35 ± 0.97 kJ/mol 61.4696 ± 0.0012 37612-72-9*0 Propylidyne CH3CH2C (g) 492.5 482.8 ± 1.2 kJ/mol 41.0718 ± 0.0024 85056-54-8*0 Cyanogen chloride anion [ClCN]- (g) 46.6 51.0 ± 3.1 kJ/mol 61.4707 ± 0.0012 12281-43-5*0 Hydrogen peroxide cation [H2O2]+ (g, trans, para) 897.78 890.77 ± 0.37 kJ/mol 34.01413 ± 0.00062 12325-10-9*12 Nitrosodioxaziridine ONN(OO) (g, cis) 413.8 408.1 ± 3.2 kJ/mol 76.01168 ± 0.00091 132871-99-9*2 2-Hydroxyethylium [CH2CH2OH]+ (g) 1019.2 1007.1 ± 1.6 kJ/mol 45.0600 ± 0.0017 38607-31-7*0 Bromine atom Br (g, 2P1/2) 161.998 155.935 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*2 Dichlorovinylidene CCCl2 (g) 421.6 424.8 ± 3.0 kJ/mol 94.9268 ± 0.0024 20394-25-6*0 Chlorovinylidene CCHCl (g) 428.0 429.8 ± 3.0 kJ/mol 60.4820 ± 0.0018 70277-82-6*0 Hydroxyaminylium [HNOH]+ (g) 1019.6 1012.4 ± 2.5 kJ/mol 32.02147 ± 0.00034 66097-71-0*0 Acetone enol CH3C(OH)CH2 (g) -151.8 -168.7 ± 1.1 kJ/mol 58.0791 ± 0.0025 29456-04-0*0 Peroxychlorous acid HOOClO (g) 96.2 90.6 ± 2.1 kJ/mol 84.4588 ± 0.0013 177778-92-6*0 Hydrogen peroxide cation [H2O2]+ (g, cis, ortho) 931.44 924.56 ± 0.94 kJ/mol 34.01413 ± 0.00062 12325-10-9*21 Dichlorine cation [Cl2]+ (g) 1108.287 1108.266 ± 0.013 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 Hydrobromate ion [HBr]- (g) -6.0 -12.5 ± 4.3 kJ/mol 80.9125 ± 0.0010 85532-97-4*0 Difluorodioxidane anion [FOOF]- (g) -251. -251. ± 28. kJ/mol 69.99615 ± 0.00060 *7783-45-1*0 Nitrosodioxaziridine ONN(OO) (g, gauche) 415.3 409.5 ± 2.8 kJ/mol 76.01168 ± 0.00091 132871-99-9*3 Oxiranylidene CH2(CO) (g) 213.5 209.3 ± 1.4 kJ/mol 42.0367 ± 0.0016 50983-85-2*0 Hydroperoxonium [H2OOH]+ (g, cis) 762.5 752.7 ± 2.0 kJ/mol 35.02207 ± 0.00064 70850-26-9*2 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 Ethane anion [CH3CH3]- (g) 41.9 26.6 ± 4.4 kJ/mol 30.0696 ± 0.0017 54064-82-3*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 (Methylamino)methyl anion [CH3NHCH2]- (g) 200.9 184.0 ± 3.2 kJ/mol 44.0763 ± 0.0017 *31277-25-5*0 Diazoethenylidene anion [NNCC]- (g) 529.8 532.4 ± 3.5 kJ/mol 52.0354 ± 0.0016 *130760-11-1*0 Water H2O (g, ortho) -238.647 -241.835 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*1 Oxoethylidene HCC(O)H (g) 261.2 258.4 ± 1.6 kJ/mol 42.0367 ± 0.0016 39920-84-8*0 Fluoromethane cation [CH3F]+ (g) 981.81 974.31 ± 0.62 kJ/mol 34.03237 ± 0.00083 59122-96-2*0 Fluoromethane CH3F (l) -245.75 ± 0.45 kJ/mol 34.03292 ± 0.00083 593-53-3*590 Diazene cation [HNNH]+ (g, trans-cis equilib) 1132.46 1125.53 ± 0.66 kJ/mol 30.02881 ± 0.00020 76986-17-9*1 1-Propen-1-yl-3-ylidene CHCHCH (g, c-t quartet) 657.4 653.9 ± 2.2 kJ/mol 39.0559 ± 0.0024 84654-90-0*12 Succinic acid (CH2COOH)2 (g) -795.63 -817.77 ± 0.61 kJ/mol 118.0880 ± 0.0034 110-15-6*0 Oxirene O(CHCH) (g) 272.91 270.76 ± 0.96 kJ/mol 42.0367 ± 0.0016 157-18-6*0 Oxirene O(CHCH) (g, triplet) 387.9 384.5 ± 1.7 kJ/mol 42.0367 ± 0.0016 157-18-6*1 Hydroxyformyl HOCO (g) -181.19 -183.74 ± 0.50 kJ/mol 45.0174 ± 0.0010 2564-86-5*0 Ethylene anion [CH2CH2]- (g) 232.0 225.6 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*0 Chloromethane CH3Cl (l) -106.46 -102.49 ± 0.20 kJ/mol 50.4872 ± 0.0012 74-87-3*590 1-Propen-1-yl-3-ylidene CHCHCH (g, t-t quartet) 666.4 662.9 ± 2.2 kJ/mol 39.0559 ± 0.0024 84654-90-0*13 (Dimethylamino)methyl anion [(CH3)2NCH2]- (g) 189.5 165.3 ± 3.3 kJ/mol 58.1029 ± 0.0025 125231-49-4*0 1,1-Dibromoethane CHBr2CH3 (cr,l) -67.2 ± 1.4 kJ/mol 187.8612 ± 0.0026 557-91-5*500 Methyl bromide cation [CH3Br]+ (g) 996.17 981.25 ± 0.19 kJ/mol 94.9380 ± 0.0013 12538-70-4*0 Methoxyethene CH2CHOCH3 (g) -88.9 -106.2 ± 1.1 kJ/mol 58.0791 ± 0.0025 107-25-5*0 Methyl iodide cation [CH3I]+ (g) 944.72 935.32 ± 0.18 kJ/mol 141.93844 ± 0.00083 12538-72-6*0 Diazenide [NNH]- (g) 175.7 176.7 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*0 Fluoroform CHF3 (l) -704.34 ± 0.45 kJ/mol 70.01385 ± 0.00080 75-46-7*590 Carbon atom C (g, quintuplet) 1114.963 1120.110 ± 0.048 kJ/mol 12.01070 ± 0.00080 7440-44-0*3 2-Oxo-1-ethylium-1-yl [HCC(O)H]+ (g, quartet) 1289.5 1286.8 ± 2.7 kJ/mol 42.0361 ± 0.0016 214464-96-7*1 Trihydrogen H(HH) (g, Ry) 745.878 743.199 ± 0.062 kJ/mol 3.02382 ± 0.00021 12184-91-7*0 3H-diazirin-3-ylidene-methylene CC(NN) (g) 837.4 839.8 ± 2.4 kJ/mol 52.0349 ± 0.0016 204253-88-3*0 Difluorodioxidanium [FOOF]+ (g) 1283.6 1280.0 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*0 Krypton dication [Kr]+2 (g) 3701.124 3701.124 ± 0.013 kJ/mol 83.7989 ± 0.1000 18469-91-5*0 Hydroxyformyl anion [HOCO]- (g) -319.52 -321.38 ± 0.60 kJ/mol 45.0180 ± 0.0010 78944-70-4*0 Xenon dication [Xe]+2 (g) 3194.14 3194.14 ± 0.36 kJ/mol 131.2889 ± 0.0200 14066-95-6*0 Cyanogen NCCN (cr,l) 274.07 289.32 ± 0.43 kJ/mol 52.0349 ± 0.0016 460-19-5*500 Water anion [H2O]- (g) -50.1 -53.0 ± 4.3 kJ/mol 18.01583 ± 0.00033 12259-30-2*0 Cyanomethylium [CH2CN]+ (g) 1255.9 1253.2 ± 1.9 kJ/mol 40.0435 ± 0.0016 34430-18-7*0 3-Buten-2-one CH3C(O)CHCH2 (g) -95.61 -111.15 ± 0.88 kJ/mol 70.0898 ± 0.0032 78-94-4*0 Bromoform CHBr3 (l) 2.5 ± 1.3 kJ/mol 252.7306 ± 0.0031 75-25-2*590 3-Buten-2-one CH3C(O)CHCH2 (g, cis) -94.0 -110.1 ± 1.6 kJ/mol 70.0898 ± 0.0032 78-94-4*2 Methanediol CH2(OH)2 (g) -379.39 -392.78 ± 0.93 kJ/mol 48.0413 ± 0.0010 463-57-0*0 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-trans, anti) -48.4 -64.7 ± 2.3 kJ/mol 70.0898 ± 0.0032 59120-04-6*12 Isocyanogen chloride anion [ClNC]- (g) 102.7 107.2 ± 3.9 kJ/mol 61.4707 ± 0.0012 923019-39-0*0 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-cis, anti) -38.3 -54.7 ± 2.3 kJ/mol 70.0898 ± 0.0032 59120-04-6*22 Dinitrogen anion [N2]- (g) 192.5 192.5 ± 1.7 kJ/mol 28.01403 ± 0.00014 12185-02-3*0 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g, s-cis) -43.1 -59.1 ± 2.3 kJ/mol 70.0898 ± 0.0032 59120-04-6*2 1,3-Butadien-2-ol CH2C(OH)CHCH2 (g) -53.8 -68.7 ± 1.6 kJ/mol 70.0898 ± 0.0032 59120-04-6*0 Nitrosodioxaziridine ONN(OO) (g) 413.6 408.2 ± 1.8 kJ/mol 76.01168 ± 0.00091 132871-99-9*0 Isocyanogen anion [CNCN]- (g) 385.5 387.6 ± 3.4 kJ/mol 52.0354 ± 0.0016 *83951-85-3*0 Ethynol cation [HCCOH]+ (g) 1063.8 1061.2 ± 3.1 kJ/mol 42.0361 ± 0.0016 84005-02-7*0 Difluoromethane CH2F2 (l) -466.89 ± 0.38 kJ/mol 52.02339 ± 0.00081 75-10-5*590 Hydroperoxyimidogen HOON (g, cis) 111.8 108.9 ± 2.8 kJ/mol 47.01348 ± 0.00061 877456-58-1*2 Chlorine chlorite ClOClO (g) 168.6 166.4 ± 1.3 kJ/mol 102.9042 ± 0.0019 105206-44-8*0 Methane anion [CH4]- (g) 27.3 19.4 ± 5.1 kJ/mol 16.04301 ± 0.00085 27680-53-1*0 1,2-Propadien-1-one anion [CH2CCO]- (g) 49.5 48.3 ± 3.1 kJ/mol 54.0479 ± 0.0024 159171-62-7*0 Carbon atom C (diamond) 2.391 1.863 ± 0.044 kJ/mol 12.01070 ± 0.00080 7440-44-0*501 1-Propen-1-yl-3-ylidene CHCHCH (g, doublet) 699.9 697.0 ± 3.5 kJ/mol 39.0559 ± 0.0024 84654-90-0*2 Methoxyethene CH2CHOCH3 (g, trans) -81.5 -98.6 ± 2.4 kJ/mol 58.0791 ± 0.0025 107-25-5*1 2-Cyclopropen-1-one cation [OC(CHCH)]+ (g) 1078.6 1075.2 ± 2.0 kJ/mol 54.0468 ± 0.0024 100815-68-7*0 Trioxodinitrate anion [ONN(O)O]- (g) -104.3 -107.5 ± 1.9 kJ/mol 76.01223 ± 0.00091 194856-62-7*0 Peroxyhypochlorous acid anion [HOOCl]- (g, quartet) -32.2 -34.0 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*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 (for your convenience, also available in RIS and BibTex format)
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. 1.122e of the Thermochemical Network, Argonne National Laboratory (2019); available at ATcT.anl.gov
4
L. Cheng, J. Gauss, B. Ruscic, P. Armentrout, and J. Stanton,
Bond Dissociation Energies for Diatomic Molecules Containing 3d Transition Metals: Benchmark Scalar-Relativistic Coupled-Cluster Calculations for Twenty Molecules.
J. Chem. Theory Comput. 13 , 1044-1056 (2017)
[DOI: 10.1021/acs.jctc.6b00970]
5
J. P. Porterfield, D. H. Bross, B. Ruscic, J. H. Thorpe, T. L. Nguyen, J. H. Baraban, J. F. Stanton, J. W. Daily, and G. B. Ellison,
Thermal Decomposition of Potential Ester Biofuels, Part I: Methyl Acetate and Methyl Butanoate.
J. Chem. Phys. A 121 , 4658-4677 (2017)
[DOI: 10.1021/acs.jpca.7b02639] (Veronica Vaida Festschrift)
6
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 [6 ]).
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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