ATcT [1 , 2 ] enthalpies of formation based on version 1.122d of the Thermochemical Network [3 ]
Below is a list of 0 K and 298.15 K enthalpies of formation
for all 1414 species included in version 1.122d (as of 12/09/2015). This version of ATcT results was generated from an expansion of version 1.122b [4 ][5 ] to include the enthalpies of formation of methylamine , dimethylamine and trimethylamine that were used as reference values to derive the bond dissociation energies of 20 diatomic molecules containing 3d transition metals.[6 ].
The elements in their standard states are listed first; the listing order of the other species follows the actual order from the ATcT solution file,
which roughly reflects the number of thermochemically-relevant determinations that include the species in question (highest first).
The intent is to convey a very approximate indication of the robustness of the listed values, which is generally higher toward the top of the list
and lower toward the bottom.
For species other than elements in their standard states, the Species Name acts as a link to the page
itemizing the most important contributors to the provenance of its ATcT enthalpy of formation, other highly correlated chemical species, and high-leverage reactions in the Thermochemical Network.
(Please note that, as opposed to traditional sequential thermochemistry where the provenance of a given enthalpy of formation is typically a single measurement,
the provenances of ATcT enthalpies of formation, which are obtained by analysing and solving a large Thermochemical Network, are normally quite distributed.)
If you find Active Thermochemical Tables useful in your research, please cite this website as given in Ref. [3 ], and, if possible, the ATcT approach as given in Refs. [1 ] and [2 ].
Reaction Search
The 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) 711.407 716.892 ± 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) 470.579 472.441 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*0 Chlorine atom Cl (g) 119.621 121.302 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*0 Carbon dioxide CO2 (g) -393.109 -393.475 ± 0.015 kJ/mol 44.00950 ± 0.00100 124-38-9*0 Fluorine atom F (g) 77.253 79.359 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*0 Methane CH4 (g) -66.556 -74.525 ± 0.056 kJ/mol 16.04246 ± 0.00085 74-82-8*0 Water H2O (cr,l) -286.308 -285.836 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*500 Water H2O (g) -238.938 -241.842 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*0 Ethane CH3CH3 (g) -68.33 -83.96 ± 0.13 kJ/mol 30.0690 ± 0.0017 74-84-0*0 Hydron H+ (g) 1528.084 1530.047 ± 0.000 kJ/mol 1.007391 ± 0.000070 12408-02-5*0 Bromine atom Br (g) 117.917 111.855 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*0 Ethylene CH2CH2 (g) 60.91 52.39 ± 0.12 kJ/mol 28.0532 ± 0.0016 74-85-1*0 Hydrogen chloride HCl (g) -91.989 -92.173 ± 0.0062 kJ/mol 36.46064 ± 0.00090 7647-01-0*0 Hydroxyl OH (g) 37.242 37.482 ± 0.027 kJ/mol 17.00734 ± 0.00031 3352-57-6*0 Methyl CH3 (g) 149.829 146.414 ± 0.080 kJ/mol 15.03452 ± 0.00083 2229-07-4*0 Carbon monoxide CO (g) -113.802 -110.522 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*0 Methanol CH3OH (g) -189.95 -200.84 ± 0.15 kJ/mol 32.04186 ± 0.00090 67-56-1*0 Hydrogen fluoride HF (g) -272.679 -272.726 ± 0.049 kJ/mol 20.006343 ± 0.000070 7664-39-3*0 Hydrogen bromide HBr (g) -27.72 -35.57 ± 0.16 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 Formaldehyde CH2O (g) -105.347 -109.186 ± 0.098 kJ/mol 30.02598 ± 0.00087 50-00-0*0 Acetylene HCCH (g) 228.83 228.27 ± 0.13 kJ/mol 26.0373 ± 0.0016 74-86-2*0 Ethyl CH3CH2 (g) 130.94 119.87 ± 0.28 kJ/mol 29.0611 ± 0.0016 2025-56-1*0 Propane CH3CH2CH3 (g) -82.74 -105.03 ± 0.19 kJ/mol 44.0956 ± 0.0025 74-98-6*0 Ethanol CH3CH2OH (g) -216.92 -234.64 ± 0.21 kJ/mol 46.0684 ± 0.0017 64-17-5*0 Chloromethane CH3Cl (g) -74.17 -82.10 ± 0.25 kJ/mol 50.4872 ± 0.0012 74-87-3*0 Nitric oxide NO (g) 90.616 91.120 ± 0.065 kJ/mol 30.00614 ± 0.00031 10102-43-9*0 Ammonia NH3 (g) -38.565 -45.557 ± 0.030 kJ/mol 17.03056 ± 0.00022 7664-41-7*0 Hydrogen cyanide HCN (g) 129.668 129.283 ± 0.091 kJ/mol 27.02538 ± 0.00081 74-90-8*0 Nitrogen dioxide ONO (g) 36.855 34.048 ± 0.065 kJ/mol 46.00554 ± 0.00060 10102-44-0*0 Methyl fluoride CH3F (g) -227.44 -235.47 ± 0.24 kJ/mol 34.03292 ± 0.00083 593-53-3*0 Hydrogen iodide HI (g) 28.646 26.470 ± 0.036 kJ/mol 127.912410 ± 0.000076 10034-85-2*0 Propene CH3CHCH2 (g) 34.98 19.98 ± 0.21 kJ/mol 42.0797 ± 0.0024 115-07-1*0 Hydroxyde [OH]- (g) -139.099 -139.066 ± 0.027 kJ/mol 17.00789 ± 0.00031 14280-30-9*0 Hydrogen peroxide H2O2 (g) -129.492 -135.478 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*0 Dioxidanyl HO2 (g) 15.12 12.21 ± 0.15 kJ/mol 33.00674 ± 0.00060 3170-83-0*0 Methyl bromide CH3Br (g) -20.18 -35.58 ± 0.27 kJ/mol 94.9385 ± 0.0013 74-83-9*0 Benzene C6H6 (g) 100.58 83.07 ± 0.23 kJ/mol 78.1118 ± 0.0048 71-43-2*0 Hypochlorous acid HOCl (g) -73.875 -76.815 ± 0.028 kJ/mol 52.46004 ± 0.00095 7790-92-3*0 Acetaldehyde CH3CHO (g) -154.96 -165.44 ± 0.28 kJ/mol 44.0526 ± 0.0017 75-07-0*0 Dibromine Br2 (g) 45.68 30.89 ± 0.12 kJ/mol 159.8080 ± 0.0020 7726-95-6*0 Fluoride F- (g) -250.912 -249.127 ± 0.048 kJ/mol 18.99895178 ± 0.00000050 16984-48-8*0 Tetrafluoromethane CF4 (g) -927.41 -933.39 ± 0.26 kJ/mol 88.00431 ± 0.00080 75-73-0*0 Methylene CH2 (g, triplet) 391.03 391.59 ± 0.12 kJ/mol 14.02658 ± 0.00081 2465-56-7*1 Methylene CH2 (g, singlet) 428.70 429.11 ± 0.12 kJ/mol 14.02658 ± 0.00081 2465-56-7*2 Methylidyne CH (g) 592.81 596.15 ± 0.11 kJ/mol 13.01864 ± 0.00080 3315-37-5*0 Tetrachloromethane CCl4 (g) -93.50 -95.67 ± 0.45 kJ/mol 153.8215 ± 0.0037 56-23-5*0 Diiodine I2 (g) 65.497 62.417 ± 0.0041 kJ/mol 253.808940 ± 0.000060 7553-56-2*0 Formic acid HC(O)OH (g, syn) -371.06 -378.38 ± 0.22 kJ/mol 46.0254 ± 0.0010 64-18-6*1 Propyne CH3CCH (g) 192.82 185.76 ± 0.25 kJ/mol 40.0639 ± 0.0024 74-99-7*0 Fluoroform CF3H (g) -688.79 -695.74 ± 0.44 kJ/mol 70.01385 ± 0.00080 75-46-7*0 Toluene C6H5CH3 (g) 73.44 50.15 ± 0.34 kJ/mol 92.1384 ± 0.0056 108-88-3*0 Oxonium [H3O]+ (g) 605.84 599.09 ± 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) -206.620 -212.682 ± 0.056 kJ/mol 79.90455 ± 0.00100 24959-67-9*0 Ozone OOO (g) 144.396 141.734 ± 0.039 kJ/mol 47.99820 ± 0.00090 10028-15-6*0 Hypobromous acid HOBr (g) -51.71 -62.18 ± 0.59 kJ/mol 96.9113 ± 0.0010 13517-11-8*0 Methoxy CH3O (g) 28.99 21.62 ± 0.29 kJ/mol 31.03392 ± 0.00088 2143-68-2*0 n-Butane CH3CH2CH2CH3 (g) -98.65 -125.96 ± 0.26 kJ/mol 58.1222 ± 0.0033 106-97-8*0 Chloroethane CH3CH2Cl (g) -96.80 -111.38 ± 0.20 kJ/mol 64.5138 ± 0.0019 75-00-3*0 Methylamine CH3NH2 (g) -7.01 -21.72 ± 0.31 kJ/mol 31.05714 ± 0.00088 74-89-5*0 Chlorine monoxide ClO (g) 101.125 101.716 ± 0.035 kJ/mol 51.45210 ± 0.00095 14989-30-1*0 Trifluoromethyl CF3 (g) -465.02 -467.82 ± 0.49 kJ/mol 69.00591 ± 0.00080 2264-21-3*0 Ethylium [CH3CH2]+ (g) 914.95 902.87 ± 0.31 kJ/mol 29.0606 ± 0.0016 14936-94-8*0 Hydroxymethyl CH2OH (g) -10.49 -16.80 ± 0.28 kJ/mol 31.03392 ± 0.00088 2597-43-5*0 Oxomethylium [HCO]+ (g) 827.804 827.220 ± 0.098 kJ/mol 29.01749 ± 0.00086 17030-74-9*0 Vinyl CH2CH (g) 301.14 296.94 ± 0.34 kJ/mol 27.0452 ± 0.0016 2669-89-8*0 Imidogen NH (g) 358.74 358.79 ± 0.17 kJ/mol 15.014680 ± 0.000099 13774-92-0*0 Allene CH2CCH2 (g) 197.37 189.89 ± 0.26 kJ/mol 40.0639 ± 0.0024 463-49-0*0 Methoxide [CH3O]- (g) -122.48 -130.21 ± 0.31 kJ/mol 31.03447 ± 0.00088 3315-60-4*0 Nitrilomethyl CN (g) 436.71 439.99 ± 0.15 kJ/mol 26.01744 ± 0.00080 2074-87-5*0 Dioxymethyl CH2OO (g) 111.90 104.90 ± 0.63 kJ/mol 46.0254 ± 0.0010 56077-92-0*0 Difluorophosgene COF2 (g) -603.40 -606.50 ± 0.48 kJ/mol 66.00691 ± 0.00085 353-50-4*0 Nitric acid HNO3 (g) -124.49 -134.20 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*0 Ketene CH2CO (g) -45.37 -48.49 ± 0.13 kJ/mol 42.0367 ± 0.0016 463-51-4*0 Formyl HCO (g) 41.429 41.805 ± 0.098 kJ/mol 29.01804 ± 0.00086 2597-44-6*0 Phenol C6H5OH (g) -74.52 -93.12 ± 0.68 kJ/mol 94.1112 ± 0.0048 108-95-2*0 Methylium [CH3]+ (g) 1099.234 1095.291 ± 0.078 kJ/mol 15.03397 ± 0.00083 14531-53-4*0 Hypoflorous acid HOF (g) -84.40 -87.30 ± 0.19 kJ/mol 36.00574 ± 0.00031 14034-79-8*0 Iodide I- (g) -187.995 -188.396 ± 0.0021 kJ/mol 126.905019 ± 0.000030 20461-54-5*0 Vinyl chloride CH2CHCl (g) 29.44 21.86 ± 0.31 kJ/mol 62.4979 ± 0.0018 75-01-4*0 Phenyl C6H5 (g) 350.19 336.83 ± 0.56 kJ/mol 77.1039 ± 0.0048 2396-01-2*0 Cyanogen chloride ClCN (g) 135.04 135.73 ± 0.47 kJ/mol 61.4701 ± 0.0012 506-77-4*0 Cyanogen bromide BrCN (g) 187.1 180.5 ± 1.1 kJ/mol 105.9214 ± 0.0013 506-68-3*0 Methyl iodide CH3I (g) 24.40 14.86 ± 0.18 kJ/mol 141.93899 ± 0.00083 74-88-4*0 Acetone CH3C(O)CH3 (g) -199.56 -216.25 ± 0.32 kJ/mol 58.0791 ± 0.0025 67-64-1*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) -163.35 -178.29 ± 0.53 kJ/mol 45.0610 ± 0.0017 16331-64-9*0 Hydrogen chloride HCl (aq, 600 H2O) -166.454 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*834 Amidogen NH2 (g) 188.91 186.02 ± 0.12 kJ/mol 16.02262 ± 0.00016 13770-40-6*0 Trihydrogen cation [H3]+ (g) 1110.304 1106.696 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*0 iso-Butane CH(CH3)3 (g) -106.16 -134.76 ± 0.32 kJ/mol 58.1222 ± 0.0033 75-28-5*0 Dichloromethane CH2Cl2 (g) -87.55 -94.41 ± 0.49 kJ/mol 84.9320 ± 0.0020 75-09-2*0 Tetrabromomethane CBr4 (g) 133.2 103.5 ± 1.3 kJ/mol 331.6267 ± 0.0041 558-13-4*0 Methylene fluoride CH2F2 (g) -443.00 -450.58 ± 0.36 kJ/mol 52.02339 ± 0.00081 75-10-5*0 Oxygen difluoride FOF (g) 26.80 24.55 ± 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 2-Propynyl CH2CCH (g) 353.99 351.43 ± 0.38 kJ/mol 39.0559 ± 0.0024 2932-78-7*0 Propynylidene HCCCH (g, triplet) 543.38 546.38 ± 0.63 kJ/mol 38.0480 ± 0.0024 67152-18-5*1 Chloroform CHCl3 (g) -97.43 -102.34 ± 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) 814.62 823.58 ± 0.55 kJ/mol 36.0321 ± 0.0024 12075-35-3*0 Cyanic fluoride FCN (g) 8.78 9.11 ± 0.71 kJ/mol 45.01584 ± 0.00080 1495-50-7*0 Allyl CH2CHCH2 (g) 179.54 167.82 ± 0.55 kJ/mol 41.0718 ± 0.0024 1981-80-2*0 1-Hydroxyethyl CH3CHOH (g, gauche-anti) -42.00 -55.43 ± 0.65 kJ/mol 45.0605 ± 0.0017 2348-46-1*1 2-Hydroxyethyl CH2CH2OH (g, gauche-syn) -12.84 -26.11 ± 0.63 kJ/mol 45.0605 ± 0.0017 4422-54-2*1 Methylperoxy CH3OO (g) 22.31 12.66 ± 0.50 kJ/mol 47.0333 ± 0.0010 2143-58-0*0 Tetrafluoroethylene C2F4 (g) -671.33 -674.73 ± 0.58 kJ/mol 100.0150 ± 0.0016 116-14-3*0 Chlorine fluoride ClF (g) -55.622 -55.717 ± 0.055 kJ/mol 54.45110 ± 0.00090 7790-89-8*0 Diazynium [NNH]+ (g) 1042.54 1038.93 ± 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 Hydride H- (g) 143.264 145.228 ± 0.000 kJ/mol 1.008489 ± 0.000070 12184-88-2*0 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) -73.023 -79.167 ± 0.079 kJ/mol 47.01348 ± 0.00061 7782-77-6*1 Ethynylene C2 (g) 820.28 828.74 ± 0.27 kJ/mol 24.0214 ± 0.0016 12070-15-4*0 Ethynyl CCH (g) 563.87 567.99 ± 0.15 kJ/mol 25.0293 ± 0.0016 2122-48-7*0 Methyl hydroperoxide CH3OOH (g) -115.03 -127.85 ± 0.76 kJ/mol 48.0413 ± 0.0010 3031-73-0*0 iso-Propyl CH3CHCH3 (g) 105.05 88.18 ± 0.56 kJ/mol 43.0877 ± 0.0024 2025-55-0*0 Phosgene CCl2O (g) -217.44 -219.13 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*0 Fluoromethylidyne CF (g) 243.14 246.74 ± 0.13 kJ/mol 31.00910 ± 0.00080 3889-75-6*0 Phenylium [C6H5]+ (g) 1148.45 1135.67 ± 0.88 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 -59.0 ± 3.1 kJ/mol 143.91181 ± 0.00031 14332-21-9*0 Methanium [CH5]+ (g) 921.98 911.73 ± 0.45 kJ/mol 17.04985 ± 0.00087 15135-49-6*0 Hydroxylamine NH2OH (g, trans) -33.24 -43.62 ± 0.50 kJ/mol 33.02996 ± 0.00037 7803-49-8*1 Oxirane O(CH2CH2) (g) -40.01 -52.55 ± 0.38 kJ/mol 44.0526 ± 0.0017 75-21-8*0 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) -462.90 -466.55 ± 0.56 kJ/mol 45.0180 ± 0.0010 71-47-6*0 Isocyanic acid HNCO (g) -115.84 -118.84 ± 0.31 kJ/mol 43.02478 ± 0.00086 75-13-8*0 Chlorotrifluoromethane CF3Cl (g) -704.89 -710.00 ± 0.72 kJ/mol 104.4586 ± 0.0012 75-72-9*0 Bromotrifluoromethane CF3Br (g) -639.28 -651.40 ± 0.51 kJ/mol 148.9099 ± 0.0013 75-63-8*0 Fluorobenzene C6H5F (g) -99.10 -114.77 ± 0.89 kJ/mol 96.1023 ± 0.0048 462-06-6*0 Nitromethane CH3N(O)O (g) -60.85 -74.75 ± 0.46 kJ/mol 61.0401 ± 0.0010 75-52-5*0 Chlorine dioxide OClO (g) 101.32 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) 664.61 667.94 ± 0.60 kJ/mol 13.01864 ± 0.00080 3315-37-5*2 Aminomethyl CH2NH2 (g) 158.90 149.06 ± 0.44 kJ/mol 30.04920 ± 0.00085 10507-29-6*0 Ethoxy CH3CH2O (g, X 2A") 1.84 -12.07 ± 0.52 kJ/mol 45.0605 ± 0.0017 2154-50-9*51 Cyanato NCO (g) 127.03 127.50 ± 0.35 kJ/mol 42.01684 ± 0.00086 22400-26-6*0 Dimethylamine (CH3)2NH (g) 3.53 -18.11 ± 0.48 kJ/mol 45.0837 ± 0.0017 124-40-3*0 Bromoform CBr3H (g) 75.2 49.1 ± 1.3 kJ/mol 252.7306 ± 0.0031 75-25-2*0 Hydrogen fluoride HF (aq) -334.48 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*800 Bromine monoxide BrO (g) 131.14 123.61 ± 0.28 kJ/mol 95.9034 ± 0.0010 15656-19-6*0 Hypobromite [BrO]- (g) -96.15 -103.63 ± 0.54 kJ/mol 95.9039 ± 0.0010 14380-62-2*0 Fluorodioxidanyl FOO (g) 26.80 25.09 ± 0.26 kJ/mol 50.99720 ± 0.00060 15499-23-7*0 Peroxynitrous acid HOONO (g, cis, cis) -6.10 -14.54 ± 0.36 kJ/mol 63.01288 ± 0.00091 14691-52-2*3 Cyclopropane CH2(CH2CH2) (g) 70.77 53.63 ± 0.47 kJ/mol 42.0797 ± 0.0024 75-19-4*0 Propadienylidene CH2CC (g) 554.43 555.57 ± 0.41 kJ/mol 38.0480 ± 0.0024 60731-10-4*0 1-Butene CH2CHCH2CH3 (g) 20.86 -0.09 ± 0.38 kJ/mol 56.1063 ± 0.0032 106-98-9*0 Acetyl CH3CO (g) -3.37 -10.03 ± 0.36 kJ/mol 43.0446 ± 0.0016 3170-69-2*0 Dichloromethylene CCl2 (g, singlet) 229.49 230.67 ± 0.65 kJ/mol 82.9161 ± 0.0020 1605-72-7*2 Fluoroethane CH3CH2F (g) -257.21 -272.07 ± 0.38 kJ/mol 48.0595 ± 0.0016 353-36-6*0 Ethyl bromide CH3CH2Br (g) -41.12 -63.07 ± 0.26 kJ/mol 108.9651 ± 0.0019 74-96-4*0 Vinyl fluoride CH2CHF (g) -134.62 -142.43 ± 0.48 kJ/mol 46.0436 ± 0.0016 75-02-5*0 Vinyl bromide CH2CHBr (g) 88.77 73.97 ± 0.61 kJ/mol 106.9492 ± 0.0019 593-60-2*0 2-Bromoethanol BrCH2CH2OH (g) -196.57 -220.63 ± 0.57 kJ/mol 124.9645 ± 0.0019 540-51-2*0 Chlorobenzene C6H5Cl (g) 67.13 52.17 ± 0.61 kJ/mol 112.5566 ± 0.0049 108-90-7*0 Difluorodioxidane FOOF (g) 35.29 31.57 ± 0.41 kJ/mol 69.99561 ± 0.00060 7783-44-0*0 Nitrous oxide NNO (g) 85.991 82.562 ± 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) 600.69 597.60 ± 0.44 kJ/mol 45.0169 ± 0.0010 638-71-1*0 Trioxidane HOOOH (g, trans) -81.71 -90.55 ± 0.72 kJ/mol 50.01408 ± 0.00091 14699-99-1*1 Vinylium [CH2CH]+ (g) 1119.15 1115.70 ± 0.59 kJ/mol 27.0447 ± 0.0016 14604-48-9*0 Hydroxymethylium [CH2OH]+ (g) 717.75 709.80 ± 0.18 kJ/mol 31.03337 ± 0.00088 18682-95-6*0 Cyanogen NCCN (g) 308.24 310.18 ± 0.43 kJ/mol 52.0349 ± 0.0016 460-19-5*0 Propyl CH3CH2CH2 (g) 118.27 100.87 ± 0.60 kJ/mol 43.0877 ± 0.0024 2143-61-5*0 Dioxidanide [HO2]- (g) -88.87 -91.53 ± 0.35 kJ/mol 33.00729 ± 0.00060 14691-59-9*0 n-Butyl CH3CH2CH2CH2 (g) 102.52 80.02 ± 0.72 kJ/mol 57.1143 ± 0.0033 2492-36-6*0 1,3-Butadiene CH2CHCHCH2 (g) 125.05 110.57 ± 0.40 kJ/mol 54.0904 ± 0.0032 106-99-0*0 n-Pentane CH3CH2CH2CH2CH3 (g) -114.50 -146.38 ± 0.31 kJ/mol 72.1488 ± 0.0041 109-66-0*0 Ethynide [CCH]- (g) 277.42 280.83 ± 0.18 kJ/mol 25.0299 ± 0.0016 29075-95-4*0 Formic acid HC(O)OH (g) -371.06 -378.36 ± 0.22 kJ/mol 46.0254 ± 0.0010 64-18-6*0 2-Chloroethanol ClCH2CH2OH (g) -250.05 -266.76 ± 0.63 kJ/mol 80.5132 ± 0.0019 107-07-3*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) -19.22 -37.02 ± 0.92 kJ/mol 106.1219 ± 0.0056 100-52-7*0 Hypofluorite [FO]- (g) -108.85 -108.68 ± 0.48 kJ/mol 34.99835 ± 0.00030 12763-66-5*0 Chlorous acid HOClO (g) 25.75 20.69 ± 0.63 kJ/mol 68.4594 ± 0.0011 13898-47-0*0 Water H2O (l) -285.836 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*590 Iodoxyl radical IO (g) 126.97 125.04 ± 0.82 kJ/mol 142.90387 ± 0.00030 14696-98-1*0 Ammonium [NH4]+ (g) 643.04 631.73 ± 0.21 kJ/mol 18.03795 ± 0.00029 14798-03-9*0 Azanide [NH2]- (g) 114.89 112.02 ± 0.33 kJ/mol 16.02317 ± 0.00016 17655-31-1*0 Hydroxyamidogen HNOH (g, trans) 101.6 94.8 ± 1.1 kJ/mol 32.02202 ± 0.00034 13940-32-4*1 Nitrate [NO3]- (g) -300.30 -306.77 ± 0.62 kJ/mol 62.00549 ± 0.00090 14797-55-8*0 Cyanogen iodide ICN (g) 222.5 222.0 ± 1.6 kJ/mol 152.92191 ± 0.00080 506-78-5*0 Formyl anion [HCO]- (g) 11.63 12.02 ± 0.44 kJ/mol 29.01859 ± 0.00086 57340-31-5*0 2-Propynylidyne CCCH (g) 717.94 722.29 ± 0.81 kJ/mol 37.0400 ± 0.0024 53590-28-6*0 Isobutene CH2C(CH3)2 (g) 3.95 -17.12 ± 0.43 kJ/mol 56.1063 ± 0.0032 115-11-7*0 Methanetetraylbisamidogen NCN (g) 450.41 450.81 ± 0.68 kJ/mol 40.02418 ± 0.00081 2669-76-3*0 Trichloromethyl CCl3 (g) 71.91 71.43 ± 0.86 kJ/mol 118.3688 ± 0.0028 3170-80-7*0 Chloromethylene CHCl (g, singlet) 320.24 320.52 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*2 Methylene bromide CH2Br2 (g) 25.5 4.1 ± 1.1 kJ/mol 173.8346 ± 0.0022 74-95-3*0 2-Fluoroethanol FCH2CH2OH (g) -406.6 -423.9 ± 1.3 kJ/mol 64.0589 ± 0.0017 371-62-0*0 Phenide [C6H5]- (g) 244.44 231.01 ± 0.42 kJ/mol 77.1044 ± 0.0048 30922-78-2*0 Phenolate [C6H5O]- (g) -146.09 -161.56 ± 0.93 kJ/mol 93.1038 ± 0.0048 3229-70-7*0 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) -583.82 -589.70 ± 0.55 kJ/mol 195.91038 ± 0.00080 2314-97-8*0 Nitrogen atom cation N+ (g) 1872.907 1875.688 ± 0.024 kJ/mol 14.006191 ± 0.000070 14158-23-7*0 Azido radical NNN (g) 452.25 449.66 ± 0.60 kJ/mol 42.02022 ± 0.00021 12596-60-0*0 Trinitrogen cation [NNN]+ (g) 1519.41 1516.88 ± 0.89 kJ/mol 42.01967 ± 0.00021 12185-03-4*0 Oxonitrate anion [NO]- (g) 87.91 87.94 ± 0.12 kJ/mol 30.00669 ± 0.00031 14967-78-3*0 Carbon monoxide cation [CO]+ (g) 1238.308 1241.588 ± 0.026 kJ/mol 28.00955 ± 0.00085 12144-04-6*0 Nitrosyl ion [NO]+ (g) 984.484 984.479 ± 0.065 kJ/mol 30.00559 ± 0.00031 14452-93-8*0 Nitroxyl H2NO (g) 71.13 64.52 ± 0.90 kJ/mol 32.02202 ± 0.00034 13408-29-2*0 Hydrazoic acid HNNN (g) 297.90 291.61 ± 0.49 kJ/mol 43.02816 ± 0.00022 7782-79-8*0 Ethanium [C2H7]+ (g, bridged C2) 874.39 858.12 ± 0.62 kJ/mol 31.0764 ± 0.0017 24669-33-8*1 Acetylium [CH3CO]+ (g) 666.87 659.58 ± 0.47 kJ/mol 43.0441 ± 0.0016 15762-07-9*0 Cyanide [CN]- (g) 63.964 67.250 ± 0.095 kJ/mol 26.01799 ± 0.00080 57-12-5*0 Hydroxymethylene HCOH (g, trans) 112.70 108.93 ± 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 ± 0.79 kJ/mol 62.0248 ± 0.0012 463-79-6*1 Hydrogen bromide HBr (aq) -120.71 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*800 n-Hexane CH3CH2CH2CH2CH2CH3 (g) -130.10 -166.98 ± 0.34 kJ/mol 86.1754 ± 0.0049 110-54-3*0 1-Hydroxyethylium [CH3CHOH]+ (g, anti) 609.13 594.70 ± 0.39 kJ/mol 45.0600 ± 0.0017 18682-96-7*1 Ethoxy CH3CH2O (g, A 2A') 6.09 -8.35 ± 0.52 kJ/mol 45.0605 ± 0.0017 2154-50-9*52 Dicarbon monoxide CCO (g, triplet) 377.3 381.3 ± 1.1 kJ/mol 40.0208 ± 0.0016 12071-23-7*1 Formic acid HC(O)OH (g, anti) -354.70 -361.94 ± 0.39 kJ/mol 46.0254 ± 0.0010 64-18-6*2 Formyloxidanyl HC(O)O (g, 2A1) -125.57 -127.23 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*1 Trimethylamine (CH3)3N (g) 1.16 -27.69 ± 0.92 kJ/mol 59.1103 ± 0.0025 75-50-3*0 Chlorodifluoromethane CHClF2 (g) -476.4 -482.5 ± 1.2 kJ/mol 86.4681 ± 0.0012 75-45-6*0 Fluoromethylene CHF (g, singlet) 148.34 148.62 ± 0.46 kJ/mol 32.01704 ± 0.00080 13453-52-6*2 Fluoroformyl FCO (g) -176.61 -176.03 ± 0.39 kJ/mol 47.00850 ± 0.00085 1871-24-5*0 Hydrogen chloride HCl (aq) -166.993 ± 0.023 kJ/mol 36.46064 ± 0.00090 7647-01-0*800 Bromonium [HBrH]+ (g) 925.2 914.5 ± 1.5 kJ/mol 81.9193 ± 0.0010 36658-54-5*0 Hydrogen peroxide cation [H2O2]+ (g, trans) 896.57 889.59 ± 0.58 kJ/mol 34.01413 ± 0.00062 12325-10-9*1 Hydrazine NH2NH2 (g) 111.56 97.41 ± 0.49 kJ/mol 32.04524 ± 0.00031 302-01-2*0 Ethylidene CH3CH (g, triplet) 361.30 354.30 ± 0.91 kJ/mol 28.0532 ± 0.0016 4218-50-2*1 Vinyl anion [CH2CH]- (g) 237.01 232.59 ± 0.87 kJ/mol 27.0458 ± 0.0016 25012-81-1*0 Aminomethylium [CH2NH2]+ (g) 763.55 751.58 ± 0.66 kJ/mol 30.04865 ± 0.00085 488821-23-4*0 Peroxyformic acid HC(O)OOH (g, cis) -279.8 -289.1 ± 1.1 kJ/mol 62.0248 ± 0.0012 107-32-4*1 1-Methylethenyl CH3CCH2 (g) 262.81 252.46 ± 0.78 kJ/mol 41.0718 ± 0.0024 15552-77-9*0 trans-2-Butene CH3CHCHCH3 (g, trans) 9.24 -11.32 ± 0.41 kJ/mol 56.1063 ± 0.0032 624-64-6*0 cis-2-Butene CH3CHCHCH3 (g, cis) 13.93 -7.34 ± 0.42 kJ/mol 56.1063 ± 0.0032 590-18-1*0 Cyclopentane CH2(CH2CH2CH2CH2) (g) -45.04 -77.61 ± 0.44 kJ/mol 70.1329 ± 0.0041 287-92-3*0 Cyclopentadiene CH2(CHCHCHCH) (g) 149.85 132.73 ± 0.76 kJ/mol 66.1011 ± 0.0040 542-92-7*0 1-Hydroxyethyl CH3CHOH (g, gauche-syn) -40.46 -53.93 ± 0.93 kJ/mol 45.0605 ± 0.0017 2348-46-1*2 Protonated oxirane [(CH2CH2)OH]+ (g) 725.23 709.06 ± 0.67 kJ/mol 45.0600 ± 0.0017 *38607-31-7*0 Ethenol CH2CHOH (g, syn) -112.76 -123.95 ± 0.84 kJ/mol 44.0526 ± 0.0017 557-75-5*1 Oxoethenyl HCCO (g) 176.97 178.09 ± 0.61 kJ/mol 41.0287 ± 0.0016 51095-15-9*0 Methanediol CH2(OH)2 (g, conrot gauche) -379.2 -393.4 ± 1.1 kJ/mol 48.0413 ± 0.0010 463-57-0*1 Trioxidanide [HOOO]- (g, gauche) -120.0 -123.1 ± 1.6 kJ/mol 49.00669 ± 0.00090 89965-38-8*2 Acetyl chloride CH3C(O)Cl (g) -232.68 -241.55 ± 0.33 kJ/mol 78.4973 ± 0.0019 75-36-5*0 Methyl formate HC(O)OCH3 (g, syn-staggered) -344.73 -357.78 ± 0.59 kJ/mol 60.0520 ± 0.0017 107-31-3*1 Chlorohydroxymethyl CH(Cl)OH (g, syn-gauche) -54.7 -60.7 ± 1.1 kJ/mol 65.4787 ± 0.0012 147139-06-8*1 1,1-Dichloroethene CH2CCl2 (g) 8.91 2.92 ± 0.51 kJ/mol 96.9427 ± 0.0024 75-35-4*0 Tetrachloroethene CCl2CCl2 (g) -22.3 -23.1 ± 1.1 kJ/mol 165.8322 ± 0.0039 127-18-4*0 Difluorodichloromethane CF2Cl2 (g) -490.42 -495.18 ± 0.97 kJ/mol 120.9129 ± 0.0020 75-71-8*0 Fluorodichloromethane CHFCl2 (g) -278.7 -284.0 ± 1.3 kJ/mol 102.9224 ± 0.0020 75-43-4*0 Trifluoromethylium [CF3]+ (g) 409.16 406.09 ± 0.52 kJ/mol 69.00536 ± 0.00080 18851-76-8*0 Fluoromethylene CHF (g, triplet) 210.16 210.50 ± 0.72 kJ/mol 32.01704 ± 0.00080 13453-52-6*1 Formyl fluoride HFCO (g) -378.64 -382.23 ± 0.33 kJ/mol 48.01644 ± 0.00086 1493-02-3*0 Methyl nitrite CH3ONO (g, cis) -55.58 -67.36 ± 0.45 kJ/mol 61.0401 ± 0.0010 624-91-9*2 Chlorine pentafluoride FCl(F)(F)(F)F (g) -226.1 -234.2 ± 1.7 kJ/mol 130.44472 ± 0.00090 13637-63-3*0 Chloro hypochlorite ClOCl (g) 79.78 77.97 ± 0.36 kJ/mol 86.9048 ± 0.0018 7791-21-1*0 Chlorooxy hypochlorite ClOOCl (g) 134.55 131.32 ± 0.56 kJ/mol 102.9042 ± 0.0019 12292-23-8*0 Peroxyhypochlorous acid HOOCl (g) 3.93 -1.34 ± 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 Dinitrogen cation [N2]+ (g) 1503.311 1503.312 ± 0.0011 kJ/mol 28.01293 ± 0.00014 13966-04-6*0 Carbon dioxide cation [CO2]+ (g) 936.092 936.927 ± 0.017 kJ/mol 44.00895 ± 0.00100 12181-61-2*0 Nitrogen sesquioxide ONNO2 (g) 90.71 86.15 ± 0.15 kJ/mol 76.01168 ± 0.00091 10544-73-7*0 Ammonium [NH4]+ (aq) -133.080 ± 0.056 kJ/mol 18.03795 ± 0.00029 14798-03-9*800 Hydrazino NH2NH (g) 234.80 224.28 ± 0.78 kJ/mol 31.03730 ± 0.00025 13598-46-4*0 Ethylidene CH3CH (g, singlet) 373.69 366.46 ± 0.98 kJ/mol 28.0532 ± 0.0016 4218-50-2*2 Methylamidogen CH3NH (g) 187.21 176.56 ± 0.49 kJ/mol 30.04920 ± 0.00085 15622-51-2*0 Hydrogen isocyanide cation [HNC]+ (g) 1353.0 1352.9 ± 1.3 kJ/mol 27.02483 ± 0.00081 74158-11-5*0 Prop-2-ylium [CH3CHCH3]+ (g) 822.90 805.64 ± 0.25 kJ/mol 43.0871 ± 0.0024 19252-53-0*0 Propargylenide [HCCCH]- (g, transoid 2B) 434.5 437.1 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*1 neo-Pentane C(CH3)4 (g) -134.69 -167.57 ± 0.40 kJ/mol 72.1488 ± 0.0041 463-82-1*0 Dichloride [Cl2]- (g) -229.8 -228.7 ± 1.4 kJ/mol 70.9059 ± 0.0018 12595-89-0*0 2-Hydroxyethyl CH2CH2OH (g, gauche-anti) -9.91 -22.54 ± 0.91 kJ/mol 45.0605 ± 0.0017 4422-54-2*2 Chlorine atom cation Cl+ (g) 1370.806 1372.602 ± 0.0011 kJ/mol 35.45215 ± 0.00090 24203-47-2*0 Dimethyl ether CH3OCH3 (g) -166.53 -184.04 ± 0.45 kJ/mol 46.0684 ± 0.0017 115-10-6*0 Methanediol CH2(OH)2 (g, disrot gauche) -368.8 -382.0 ± 1.2 kJ/mol 48.0413 ± 0.0010 463-57-0*2 (Methylamino)methyl CH3NHCH2 (g) 167.56 151.10 ± 0.97 kJ/mol 44.0758 ± 0.0017 31277-24-4*0 Dimethylamidogen (CH3)2N (g) 173.7 156.3 ± 1.5 kJ/mol 44.0758 ± 0.0017 15337-44-7*0 Bromotrichloromethane CCl3Br (g) -32.87 -42.01 ± 0.60 kJ/mol 198.2728 ± 0.0030 75-62-7*0 Chloromethylidyne CCl (g) 430.42 434.18 ± 0.67 kJ/mol 47.4634 ± 0.0012 3889-76-7*0 Chloromethanol CH2(Cl)OH (g) -232.1 -242.4 ± 1.2 kJ/mol 66.4866 ± 0.0013 15454-33-8*0 Chloromethoxy CH2(Cl)O (g) -11.7 -18.5 ± 1.1 kJ/mol 65.4787 ± 0.0012 114282-89-2*0 1,1-Dichloroethane CH3CHCl2 (g) -119.76 -132.54 ± 0.51 kJ/mol 98.9586 ± 0.0024 75-34-3*0 1,1,1-Trichloroethane CH3CCl3 (g) -134.42 -145.00 ± 0.52 kJ/mol 133.4033 ± 0.0031 71-55-6*0 Hydroperoxonium [H2OOH]+ (g, trans) 738.1 727.8 ± 1.2 kJ/mol 35.02207 ± 0.00064 70850-26-9*1 Tetraiodomethane CI4 (g) 332.0 326.9 ± 4.1 kJ/mol 519.62858 ± 0.00081 507-25-5*0 o-Benzyne C6H4 (g, singlet) 468.05 459.13 ± 0.88 kJ/mol 76.0960 ± 0.0048 462-80-6*2 Benzyl C6H5CH2 (g) 230.23 211.42 ± 0.62 kJ/mol 91.1305 ± 0.0056 2154-56-5*0 Acetonyl CH3C(O)CH2 (g) -19.17 -31.88 ± 0.99 kJ/mol 57.0712 ± 0.0024 3122-07-4*0 Propionaldehyde CH3CH2CHO (g) -171.40 -186.80 ± 0.25 kJ/mol 58.0791 ± 0.0025 123-38-6*0 Bromonium Br+ (g) 1257.778 1251.715 ± 0.057 kJ/mol 79.90345 ± 0.00100 22541-56-6*0 Nitric acid HNO3 (aq) -206.63 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*800 Oxoammoniumyl [HNO]+ (g) 1092.40 1089.47 ± 0.68 kJ/mol 31.01353 ± 0.00032 63559-87-5*0 Trioxidane HOOOH (g, cis) -72.39 -80.88 ± 0.92 kJ/mol 50.01408 ± 0.00091 14699-99-1*2 Peroxynitrous acid HOONO (g, trans, perp) 7.57 0.49 ± 0.41 kJ/mol 63.01288 ± 0.00091 14691-52-2*1 Chlorodioxidanyl ClOO (g) 103.91 102.82 ± 0.37 kJ/mol 67.4515 ± 0.0011 17376-09-9*0 Ethylidyne CH3C (g) 508.56 504.86 ± 0.87 kJ/mol 27.0452 ± 0.0016 67624-57-1*0 Ethylidyne CH3C (g, quartet) 640.6 636.1 ± 1.2 kJ/mol 27.0452 ± 0.0016 67624-57-1*2 Methylamidogen anion [CH3NH]- (g) 144.95 134.12 ± 0.68 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 Perchloryl OCl(O)O (g) 191.68 186.01 ± 0.61 kJ/mol 83.4509 ± 0.0013 13932-10-0*0 1-Propenyl CH3CHCH (g, cis) 277.99 267.20 ± 0.79 kJ/mol 41.0718 ± 0.0024 6067-68-1*2 Hydrogen fluoride HF (aq, 20 H2O) -321.03 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*818 1-Propynyl CH3CC (g) 528.39 526.03 ± 0.75 kJ/mol 39.0559 ± 0.0024 89342-91-6*0 Propargylenide [HCCCH]- (g, cisoid 2A) 437.0 439.5 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*2 2-Propyn-1-ylium-1-ylidene [CCCH]+ (g) 1598.0 1602.9 ± 1.3 kJ/mol 37.0395 ± 0.0024 75104-46-0*0 t-Butyl (CH3)3C (g) 75.44 50.14 ± 0.68 kJ/mol 57.1143 ± 0.0033 1605-73-8*0 2-Butyne CH3CCCH3 (g) 158.96 145.99 ± 0.59 kJ/mol 54.0904 ± 0.0032 503-17-3*0 1-Butyne CH3CH2CCH (g) 179.36 165.77 ± 0.67 kJ/mol 54.0904 ± 0.0032 107-00-6*0 iso-Pentane CH3CH2CH(CH3)2 (g) -119.26 -153.31 ± 0.44 kJ/mol 72.1488 ± 0.0041 78-78-4*0 Isoprene CH2C(CH3)CHCH2 (g) 95.97 75.44 ± 0.70 kJ/mol 68.1170 ± 0.0040 78-79-5*0 2-Hydroxyethyl CH2CH2OH (g, staggered-anti) -4.9 -17.4 ± 1.3 kJ/mol 45.0605 ± 0.0017 4422-54-2*3 Vinoxy CH2CHO (g) 22.42 15.58 ± 0.77 kJ/mol 43.0446 ± 0.0016 6912-06-7*0 Acetyl anion [CH3CO]- (g) -44.0 -49.6 ± 1.4 kJ/mol 43.0452 ± 0.0016 78944-68-0*0 Ketene CH2CO (g, triplet) 182.5 177.5 ± 1.3 kJ/mol 42.0367 ± 0.0016 463-51-4*1 Water dimer (H2O)2 (g) -491.097 -499.137 ± 0.052 kJ/mol 36.03056 ± 0.00066 25655-83-8*0 Hydroxyformyl HOCO (g, cis) -174.34 -177.37 ± 0.53 kJ/mol 45.0174 ± 0.0010 2564-86-5*2 Hydroxyformyl anion [HOCO]- (g, cis) -319.50 -322.27 ± 0.60 kJ/mol 45.0180 ± 0.0010 78944-70-4*2 2-Hydrotrioxy OO(H)O (g) 299.7 294.0 ± 1.2 kJ/mol 49.00614 ± 0.00090 *12500-78-6*0 1-Propanol CH3CH2CH2OH (g) -231.44 -255.28 ± 0.25 kJ/mol 60.0950 ± 0.0025 71-23-8*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) 56.5 53.3 ± 2.0 kJ/mol 49.4798 ± 0.0012 60291-29-4*0 cis-1,2-Dichloroethene CHClCHCl (g, cis) 3.46 -2.54 ± 0.56 kJ/mol 96.9427 ± 0.0024 156-59-2*0 Fluorotrichloromethane CCl3F (g) -286.4 -289.6 ± 1.2 kJ/mol 137.3672 ± 0.0028 75-69-4*0 Difluoromethylene CF2 (g) -193.94 -193.47 ± 0.39 kJ/mol 50.00751 ± 0.00080 2154-59-8*0 Hexafluoroethane CF3CF3 (g) -1334.5 -1342.8 ± 1.5 kJ/mol 138.0118 ± 0.0016 76-16-4*0 1,1-Difluoroethane CHF2CH3 (g) -489.06 -502.78 ± 0.65 kJ/mol 66.0500 ± 0.0016 75-37-6*0 1,1-Difluoroethene CH2CF2 (g) -343.60 -350.66 ± 0.94 kJ/mol 64.0341 ± 0.0016 75-38-7*0 Tricarbon dioxide OCCCO (g) -94.8 -92.7 ± 1.4 kJ/mol 68.0309 ± 0.0025 504-64-3*0 Ethylbenzene C6H5CH2CH3 (g) 58.18 29.72 ± 0.55 kJ/mol 106.1650 ± 0.0064 100-41-4*0 Phenylethene C6H5CHCH2 (g) 169.66 148.33 ± 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 Difluoride [F2]- (g) -291.0 -290.2 ± 1.5 kJ/mol 37.9973550 ± 0.0000010 12184-85-9*0 Acetonate [CH3C(O)CH2]- (g) -188.5 -202.1 ± 1.1 kJ/mol 57.0717 ± 0.0024 24262-31-5*0 Bromine monochloride BrCl (g) 21.882 14.439 ± 0.060 kJ/mol 115.3567 ± 0.0013 13863-41-7*0 Iodine monobromide IBr (g) 49.718 40.771 ± 0.067 kJ/mol 206.8085 ± 0.0010 7789-33-5*0 Nitrosyl nitrite ONONO (g, sym) 93.0 87.8 ± 1.3 kJ/mol 76.01168 ± 0.00091 122413-35-8*1 Nitroxyl NO3 (g) 79.38 74.13 ± 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) -37.2 -44.1 ± 1.5 kJ/mol 47.01348 ± 0.00061 90266-90-3*0 Carbon atom cation C+ (g) 1797.860 1803.458 ± 0.048 kJ/mol 12.01015 ± 0.00080 14067-05-1*0 Dioxygen anion [O2]- (g) -43.36 -42.72 ± 0.17 kJ/mol 31.99935 ± 0.00060 11062-77-4*0 Methanide [CH3]- (g) 141.08 137.63 ± 0.30 kJ/mol 15.03507 ± 0.00083 15194-58-8*0 Methyliumyl [CH2]+ (g) 1393.17 1394.03 ± 0.12 kJ/mol 14.02603 ± 0.00081 15091-72-2*0 Methyliumylidene [CH]+ (g) 1619.765 1623.108 ± 0.056 kJ/mol 13.01809 ± 0.00080 24361-82-8*0 Methylidyne anion [CH]- (g) 474.97 478.30 ± 0.85 kJ/mol 13.01919 ± 0.00080 28604-54-8*0 Trioxygen difluoride FOOOF (g, trans) 112.5 106.7 ± 1.2 kJ/mol 85.99501 ± 0.00090 16829-28-0*1 Ethanide [CH3CH2]- (g) 152.9 141.8 ± 1.2 kJ/mol 29.0616 ± 0.0016 25013-41-6*0 Oxidanylium [OH]+ (g) 1293.182 1293.211 ± 0.035 kJ/mol 17.00679 ± 0.00031 12259-29-9*0 Methyleneamidogen CH2N (g) 241.95 238.30 ± 0.67 kJ/mol 28.03332 ± 0.00082 15845-29-1*0 (E)-Iminomethyl HCNH (g, trans) 275.83 272.22 ± 0.71 kJ/mol 28.03332 ± 0.00082 54980-10-8*0 Nitrilomethylium [CN]+ (g) 1778.0 1781.5 ± 1.2 kJ/mol 26.01689 ± 0.00080 12539-57-0*0 Fluoroacetylene HCCF (g) 104.89 105.60 ± 0.41 kJ/mol 44.0277 ± 0.0016 2713-09-9*0 Methanol cation [CH3OH]+ (g) 856.90 846.58 ± 0.32 kJ/mol 32.04131 ± 0.00090 12538-91-9*0 Methyloxonium [CH3OH2]+ (g) 589.8 575.6 ± 1.2 kJ/mol 33.04925 ± 0.00092 17836-08-7*0 Hydroxymethylene HCOH (g, gauche triplet) 219.3 216.4 ± 1.1 kJ/mol 30.02598 ± 0.00087 19710-56-6*3 Aquacarbon H2OC (g, triplet) 442.7 441.1 ± 1.3 kJ/mol 30.02598 ± 0.00087 81434-73-3*1 Hydroxyde [OH]- (aq) -230.020 ± 0.029 kJ/mol 17.00789 ± 0.00031 14280-30-9*800 Carbonic acid C(O)(OH)2 (g, cis-trans) -596.87 -606.98 ± 0.85 kJ/mol 62.0248 ± 0.0012 463-79-6*2 Carbonic acid C(O)(OH)2 (g, trans-trans) -561.64 -570.49 ± 0.98 kJ/mol 62.0248 ± 0.0012 463-79-6*3 1,2-Propadienyl anion [CH2CCH]- (g) 265.65 262.44 ± 0.73 kJ/mol 39.0565 ± 0.0024 64066-06-4*0 1-Propynyl anion [CH3CC]- (g) 264.45 260.98 ± 0.76 kJ/mol 39.0565 ± 0.0024 36147-87-2*0 Chloric acid HOCl(O)O (g) 2.2 -4.9 ± 1.6 kJ/mol 84.4588 ± 0.0013 7790-93-4*0 Chlorate [OCl(O)O]- (g) -207.4 -212.9 ± 1.6 kJ/mol 83.4514 ± 0.0013 14866-68-3*0 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g, syn) 49.2 42.2 ± 1.9 kJ/mol 84.4588 ± 0.0013 928652-99-7*1 Cyclohexane CH2(CH2CH2CH2CH2CH2) (g) -83.64 -123.20 ± 0.36 kJ/mol 84.1595 ± 0.0049 110-82-7*0 Ozonide [OOO]- (g) -58.48 -60.84 ± 0.21 kJ/mol 47.99875 ± 0.00090 12596-80-4*0 2-Hydroxyethylium [CH2CH2OH]+ (g, staggered-anti) 1019.2 1006.3 ± 1.7 kJ/mol 45.0600 ± 0.0017 38607-31-7*3 Ethynol HCCOH (g) 95.3 93.2 ± 1.5 kJ/mol 42.0367 ± 0.0016 32038-79-2*0 Hydroxyformyl anion [HOCO]- (g, trans) -313.69 -315.63 ± 0.61 kJ/mol 45.0180 ± 0.0010 78944-70-4*1 2-Propanol CH3CH(OH)CH3 (g) -248.87 -272.97 ± 0.32 kJ/mol 60.0950 ± 0.0025 67-63-0*0 Acetic acid CH3C(O)OH (g, syn) -418.51 -432.63 ± 0.52 kJ/mol 60.0520 ± 0.0017 64-19-7*1 Ethylene glycol (CH2OH)2 (g) -369.81 -389.44 ± 0.49 kJ/mol 62.0678 ± 0.0018 107-21-1*0 (Methylamino)methyl cation [CH3NHCH2]+ (g) 728.81 710.19 ± 0.99 kJ/mol 44.0752 ± 0.0017 *31277-24-4*0 Dichloromethyl CHCl2 (g) 92.02 90.11 ± 0.88 kJ/mol 83.9240 ± 0.0020 3474-12-2*0 Chloromethyl CH2Cl (g) 118.47 115.39 ± 0.87 kJ/mol 49.4793 ± 0.0012 6806-86-6*0 Methyl hypochlorite CH3OCl (g) -52.9 -62.9 ± 1.4 kJ/mol 66.4866 ± 0.0013 593-78-2*0 1,2-Dichloroethane CH2ClCH2Cl (g) -118.48 -130.43 ± 0.54 kJ/mol 98.9586 ± 0.0024 107-06-2*0 Dichloroacetylene ClCCCl (g) 230.08 233.39 ± 0.98 kJ/mol 94.9268 ± 0.0024 7572-29-4*0 Fluorochloromethane CH2FCl (g) -256.3 -263.5 ± 1.3 kJ/mol 68.4777 ± 0.0012 593-70-4*0 Trioxidanyl HOOO (g, trans) 25.31 23.32 ± 0.13 kJ/mol 49.00614 ± 0.00090 12500-78-6*1 Formyl chloride CHClO (g) -179.97 -183.18 ± 0.77 kJ/mol 64.4707 ± 0.0012 2565-30-2*0 Chloroformyl ClCO (g) -21.91 -20.52 ± 0.49 kJ/mol 63.4628 ± 0.0012 2602-42-8*0 1,3-Butadiyne HCCCCH (g) 458.35 460.07 ± 0.82 kJ/mol 50.0587 ± 0.0032 460-12-8*0 o-Benzyne anion [C6H4]- (g) 413.73 404.63 ± 0.97 kJ/mol 76.0965 ± 0.0048 100569-88-8*0 Oxygen atom O (g, singlet) 436.666 438.523 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*2 Benzylide [C6H5CH2]- (g) 142.01 123.10 ± 0.45 kJ/mol 91.1310 ± 0.0056 18860-15-6*0 Fluorobenzene cation [C6H5F]+ (g) 788.88 773.86 ± 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) 138.8 129.4 ± 1.2 kJ/mol 60.0321 ± 0.0010 16787-85-2*0 Hydrogen chloride HCl (aq, 100 H2O) -165.759 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*828 Dinitrogen pentoxide O2NONO2 (g) 24.41 14.84 ± 0.35 kJ/mol 108.0105 ± 0.0015 10102-03-1*0 Fluoride F- (aq) -334.48 ± 0.16 kJ/mol 18.99895178 ± 0.00000050 16984-48-8*800 Diazenyl NNH (g) 252.17 249.25 ± 0.47 kJ/mol 29.02142 ± 0.00016 36882-13-0*0 Trioxidanylium [HOOO]+ (g, trans) 1070.6 1064.3 ± 1.4 kJ/mol 49.00559 ± 0.00090 74241-49-9*1 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) 54.450 52.548 ± 0.067 kJ/mol 65.45884 ± 0.00095 2696-92-6*0 Carbon dioxide CO2 (g, triplet) 49.8 50.6 ± 1.1 kJ/mol 44.00950 ± 0.00100 124-38-9*1 Methane cation [CH4]+ (g) 1150.83 1144.45 ± 0.25 kJ/mol 16.04191 ± 0.00085 20741-88-2*0 Methylene anion [CH2]- (g) 328.49 328.92 ± 0.50 kJ/mol 14.02713 ± 0.00081 50928-07-9*0 Oxoniumyl ion [H2O]+ (g) 978.464 975.561 ± 0.029 kJ/mol 18.01473 ± 0.00033 56583-62-1*0 Ethanium [C2H7]+ (g) 874.39 858.15 ± 0.62 kJ/mol 31.0764 ± 0.0017 24669-33-8*0 Acetylene cation [HCCH]+ (g) 1328.84 1328.18 ± 0.13 kJ/mol 26.0367 ± 0.0016 25641-79-6*0 Vinylidene CCH2 (g) 411.25 412.17 ± 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) 456.4 452.4 ± 1.4 kJ/mol 27.0458 ± 0.0016 117768-70-4*0 Vinylidene anion [CCH2]- (g) 364.14 363.96 ± 0.63 kJ/mol 26.0378 ± 0.0016 66295-36-1*0 Ethynylium [CCH]+ (g) 1687.59 1690.92 ± 0.16 kJ/mol 25.0288 ± 0.0016 16456-59-0*0 Methyloxoniumylidene [CH3O]+ (g) 1062.29 1054.48 ± 0.75 kJ/mol 31.03337 ± 0.00088 58157-09-8*0 Hydroxymethylene HCOH (g, cis) 131.12 127.38 ± 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 Iodide I- (aq) -56.824 ± 0.089 kJ/mol 126.905019 ± 0.000030 20461-54-5*800 Isoformyl COH (g) 217.29 217.67 ± 0.69 kJ/mol 29.01804 ± 0.00086 71080-92-7*0 1-Propenyl CH3CHCH (g, trans) 280.03 269.22 ± 0.81 kJ/mol 41.0718 ± 0.0024 6067-68-1*1 Cyclopropene CH2(CHCH) (g) 292.34 283.61 ± 0.55 kJ/mol 40.0639 ± 0.0024 2781-85-3*0 Dioxidenium [HO2]+ (g) 1110.87 1107.98 ± 0.11 kJ/mol 33.00619 ± 0.00060 12207-52-2*0 Bifluoride [(HF)(F)]- (g, singlet) -481.8 -480.6 ± 1.9 kJ/mol 39.005295 ± 0.000070 *18130-74-0*2 Chloryl hydride HCl(O)O (g) 197.6 191.2 ± 1.6 kJ/mol 68.4594 ± 0.0011 174365-32-3*0 Water anion [(H)(OH)]- (g, vdW ?) 31.3 29.8 ± 3.1 kJ/mol 18.01583 ± 0.00033 12259-30-2*100 Hydrogen fluoride HF (aq, 30 H2O) -321.08 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*820 Cyclobutane CH2(CH2CH2CH2) (g) 52.35 27.82 ± 0.41 kJ/mol 56.1063 ± 0.0032 287-23-0*0 Hydrogen difluoride (F)(HF) (g, lin) -198.5 -198.4 ± 1.2 kJ/mol 39.004746 ± 0.000070 12528-21-1*1 n-Heptane CH3(CH2)5CH3 (g) -145.71 -187.58 ± 0.48 kJ/mol 100.2019 ± 0.0057 142-82-5*0 n-Octane CH3(CH2)6CH3 (g) -161.46 -208.29 ± 0.67 kJ/mol 114.2285 ± 0.0065 111-65-9*0 1-Hydroxyethylium [CH3CHOH]+ (g, syn) 611.1 596.6 ± 1.3 kJ/mol 45.0600 ± 0.0017 18682-96-7*2 Ethenol CH2CHOH (g, anti) -108.24 -119.04 ± 0.89 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) 172.7 164.4 ± 1.4 kJ/mol 43.0446 ± 0.0016 31586-84-2*0 Oxiranylium [CH2(CHO)]+ (g, singlet) 901.5 893.5 ± 1.4 kJ/mol 43.0441 ± 0.0016 57789-76-1*2 C=O=C COC (g, triplet) 652.9 657.2 ± 2.3 kJ/mol 40.0208 ± 0.0016 *12071-23-7*1 C=O=C COC (g, singlet) 720.0 724.3 ± 1.9 kJ/mol 40.0208 ± 0.0016 *12071-23-7*2 Oxirene O(CHCH) (g, singlet) 272.85 272.15 ± 0.98 kJ/mol 42.0367 ± 0.0016 157-18-6*2 Oxirene O(CHCH) (g, t-triplet) 388.7 384.5 ± 2.6 kJ/mol 42.0367 ± 0.0016 157-18-6*11 Formic acid cation [HC(O)OH]+ (g, syn) 721.92 714.83 ± 0.26 kJ/mol 46.0248 ± 0.0010 50614-05-6*1 Dioxirane CH2(OO) (g) 9.45 1.78 ± 0.55 kJ/mol 46.0254 ± 0.0010 157-26-6*0 Formyloxidanyl HC(O)O (g, 2B2) -121.76 -125.11 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*2 Isofulminic acid HCNO (g) 170.92 169.46 ± 0.49 kJ/mol 43.02478 ± 0.00086 51060-05-0*0 Methyl formate HC(O)OCH3 (g, anti-eclipsed) -324.7 -337.2 ± 1.9 kJ/mol 60.0520 ± 0.0017 107-31-3*2 Dimethylamide [(CH3)2N]- (g) 122.2 103.8 ± 1.7 kJ/mol 44.0763 ± 0.0017 34285-60-4*0 Chlorine difluoride FClF (g) -47.1 -48.2 ± 1.4 kJ/mol 73.44951 ± 0.00090 24801-48-7*0 Hexachloroethane CCl3CCl3 (g) -147.4 -149.8 ± 1.6 kJ/mol 236.7376 ± 0.0056 67-72-1*0 1,1,2-Trichloroethane CH2ClCHCl2 (g) -136.5 -148.2 ± 1.4 kJ/mol 133.4033 ± 0.0031 79-00-5*0 Methyl iodide CH3I (l) -12.28 ± 0.20 kJ/mol 141.93899 ± 0.00083 74-88-4*590 Difluoromethylene CF2 (g, triplet) 43.25 43.97 ± 0.39 kJ/mol 50.00751 ± 0.00080 2154-59-8*1 Difluoromethylene CF2 (g, singlet) -193.94 -193.47 ± 0.39 kJ/mol 50.00751 ± 0.00080 2154-59-8*2 Bromide Br- (aq) -120.71 ± 0.16 kJ/mol 79.90455 ± 0.00100 24959-67-9*800 Ethyl iodide CH3CH2I (l) -9.42 -39.29 ± 0.49 kJ/mol 155.9656 ± 0.0016 75-03-6*500 Fluoro(fluorooxy)methylene FCOF (g, cis) -135.8 -137.0 ± 2.1 kJ/mol 66.00691 ± 0.00085 479587-30-9*2 Azide ion [NNN]- (g) 193.51 189.93 ± 0.91 kJ/mol 42.02077 ± 0.00021 14343-69-2*0 Dibromophosgene COBr2 (g) -97.96 -113.89 ± 0.37 kJ/mol 187.8181 ± 0.0022 593-95-3*0 Oxygen atom O (g, triplet) 246.844 249.229 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*1 Benzene C6H6 (cr,l) 50.68 49.13 ± 0.23 kJ/mol 78.1118 ± 0.0048 71-43-2*500 o-Benzyne C6H4 (g) 468.05 459.13 ± 0.88 kJ/mol 76.0960 ± 0.0048 462-80-6*0 m-Benzyne C6H4 (g, singlet) 527.0 518.5 ± 1.2 kJ/mol 76.0960 ± 0.0048 1828-89-3*2 p-Benzyne C6H4 (g, singlet) 587.1 577.5 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*2 Phenoxy C6H5O (g) 71.37 56.08 ± 0.94 kJ/mol 93.1033 ± 0.0048 2122-46-5*0 Benzoyl fluoride C6H5C(O)F (g) -288.0 -304.4 ± 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 1H-Triazirin-1-yl N(NN) (g) 585.9 584.1 ± 2.0 kJ/mol 42.02022 ± 0.00021 912535-95-6*0 (E)-Diazene cation [HNNH]+ (g, trans) 1132.46 1125.53 ± 0.66 kJ/mol 30.02881 ± 0.00020 59952-06-6*0 (Z)-Diazene HNNH (g, cis) 228.81 221.67 ± 0.64 kJ/mol 30.02936 ± 0.00020 15626-42-3*0 Hydroxyaminiumyl [NOH]+ (g) 1160.8 1157.9 ± 1.5 kJ/mol 31.01353 ± 0.00032 63559-88-6*0 Hydroxyamidogen HNOH (g, cis) 123.6 117.0 ± 1.7 kJ/mol 32.02202 ± 0.00034 13940-32-4*2 Hydroxyaminylium [HNOH]+ (g, trans) 1019.6 1012.5 ± 2.5 kJ/mol 32.02147 ± 0.00034 66097-71-0*1 Dioxyamidogen HNOO (g, cis) 240.4 233.7 ± 1.8 kJ/mol 47.01348 ± 0.00061 71843-95-3*2 Peroxynitrous acid HOONO (g, cis, perp) -0.43 -7.48 ± 0.53 kJ/mol 63.01288 ± 0.00091 14691-52-2*2 Chlorosyl hydride HClO (g) 141.9 139.1 ± 1.7 kJ/mol 52.46004 ± 0.00095 71572-35-5*0 Bifluoride [FFH]- (g, triplet) -68.0 -67.6 ± 1.6 kJ/mol 39.005295 ± 0.000070 *18130-74-0*1 Dioxiranylidene C(OO) (g) 190.3 191.1 ± 1.4 kJ/mol 44.00950 ± 0.00100 138832-57-2*0 Methylidyne CH (g, doublet) 592.81 596.15 ± 0.11 kJ/mol 13.01864 ± 0.00080 3315-37-5*1 Aquachlorine cation [ClOH2]+ (g) 821.8 815.0 ± 1.7 kJ/mol 53.46743 ± 0.00096 142599-65-3*0 Ethylidyne CH3C (g, doublet) 508.56 504.86 ± 0.87 kJ/mol 27.0452 ± 0.0016 67624-57-1*1 Trioxidaniumyl [HOOOH]+ (g, t, t) 925.7 916.4 ± 1.5 kJ/mol 50.01353 ± 0.00091 161321-37-5*2 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) 192.72 188.97 ± 0.96 kJ/mol 28.03387 ± 0.00082 28892-56-0*0 (Z)-Iminomethyl HCNH (g, cis) 294.51 291.02 ± 0.92 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 Hydrogen isocyanide HNC (g) 192.02 192.40 ± 0.38 kJ/mol 27.02538 ± 0.00081 6914-07-4*0 Chloroacetylene HCCCl (g) 228.04 228.90 ± 0.77 kJ/mol 60.4820 ± 0.0018 593-63-5*0 Methyleneoxonium CH2OH2 (g) 152.49 144.17 ± 0.49 kJ/mol 32.04186 ± 0.00090 177788-17-9*0 Hydroxymethylene anion [HCOH]- (g, trans) 147.2 144.1 ± 1.6 kJ/mol 30.02653 ± 0.00087 207914-87-2*1 Iodine atom cation I+ (g) 1115.549 1115.149 ± 0.0062 kJ/mol 126.903921 ± 0.000030 22541-93-1*0 Hydroxymethyliumylidene [COH]+ (g) 986.04 987.68 ± 0.83 kJ/mol 29.01749 ± 0.00086 60528-75-8*0 Isoformyl anion [(CO)(H)]- (g, vdW singlet ?) 55.8 58.4 ± 1.8 kJ/mol 29.01859 ± 0.00086 81747-63-9*1 Propylium [CH3CH2CH2]+ (g) 856.94 838.72 ± 0.93 kJ/mol 43.0871 ± 0.0024 19252-52-9*0 Oxywater (H2O)O (g) 64.8 58.2 ± 1.3 kJ/mol 34.01468 ± 0.00062 171363-09-0*0 Cyclopropyl CH(CH2CH2) (g) 302.7 290.0 ± 1.6 kJ/mol 41.0718 ± 0.0024 2417-82-5*0 Trioxodinitrate anion [ONNO2]- (g, vdW) -104.9 -108.8 ± 2.4 kJ/mol 76.01223 ± 0.00091 194856-62-7*100 Cycloprop-1-enyl CH2(CHC) (g) 527.56 522.98 ± 0.69 kJ/mol 39.0559 ± 0.0024 19528-44-0*0 Cycloprop-2-enyl CH(CHCH) (g) 490.27 485.66 ± 0.64 kJ/mol 39.0559 ± 0.0024 28933-84-8*0 Cyclopropenylidene C(CHCH) (g) 497.07 496.11 ± 0.46 kJ/mol 38.0480 ± 0.0024 16165-40-5*0 Triiodide ion [I3]- (aq) -51.37 ± 0.80 kJ/mol 380.713959 ± 0.000090 14900-04-0*800 2-Propynylidyne anion [CCCH]- (g) 539.96 544.81 ± 0.84 kJ/mol 37.0406 ± 0.0024 82893-67-2*0 Cyclopropynyl CH(CC) (g) 710.7 714.8 ± 1.1 kJ/mol 37.0400 ± 0.0024 119178-99-3*0 Oxygen cation monohydrate [(HOH)O]+ (g) 1153.0 1147.5 ± 3.3 kJ/mol 34.01413 ± 0.00062 *31748-17-1*0 sec-Butyl CH3CH2CHCH3 (g) 90.19 65.42 ± 0.98 kJ/mol 57.1143 ± 0.0033 2348-55-2*0 t-Butylium [(CH3)3C]+ (g) 733.77 710.50 ± 0.98 kJ/mol 57.1137 ± 0.0033 14804-25-2*0 iso-Butyl (CH3)2CHCH2 (g) 97.01 73.02 ± 0.77 kJ/mol 57.1143 ± 0.0033 4630-45-9*0 Methylcyclopropane CH3CH(CH2CH2) (g) 47.6 24.3 ± 1.3 kJ/mol 56.1063 ± 0.0032 594-11-6*0 Dihydrogen fluoride anion [HFH]- (g, triplet) 133.2 131.9 ± 1.6 kJ/mol 21.01483 ± 0.00014 117339-92-1*1 Cyclobutene C4H6 (g) 176.79 159.74 ± 0.92 kJ/mol 54.0904 ± 0.0032 822-35-5*0 Peroxychlorous acid HOOClO (g, syn) 96.2 90.2 ± 2.1 kJ/mol 84.4588 ± 0.0013 177778-92-6*1 Chlorine fluoride cation [ClF]+ (g) 1165.52 1165.70 ± 0.49 kJ/mol 54.45055 ± 0.00090 12432-44-9*0 Vinyl alcohol cation [CH2CHOH]+ (g, syn) 787.1 775.9 ± 1.1 kJ/mol 44.0520 ± 0.0017 57239-63-1*1 Vinoxy cation [CH2CHO]+ (g, triplet) 1020.1 1013.1 ± 1.6 kJ/mol 43.0441 ± 0.0016 *35731-40-9*1 Vinoxide [CH2CHO]- (g) -153.58 -160.63 ± 0.77 kJ/mol 43.0452 ± 0.0016 35731-40-9*0 Dinitrogen tetraoxide O2NNO2 (g) 20.14 10.85 ± 0.14 kJ/mol 92.0111 ± 0.0012 10544-72-6*0 Hydrogen fluoride HF (aq, 40 H2O) -321.12 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*821 Perchloric acid HOCl(O)(O)O (g) 13.2 1.8 ± 1.8 kJ/mol 100.4582 ± 0.0015 7601-90-3*0 Acetic acid CH3C(O)OH (aq) -485.20 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*800 COC vdW (CO)(C) (g, triplet) 589.3 598.1 ± 1.9 kJ/mol 40.0208 ± 0.0016 *12071-24-8*1 Oxirene O(CHCH) (g, c-triplet) 390.8 386.6 ± 2.7 kJ/mol 42.0367 ± 0.0016 157-18-6*12 Methylperoxy anion [CH3OO]- (g) -89.81 -99.96 ± 0.68 kJ/mol 47.0339 ± 0.0010 35683-44-4*0 Fluorohydrochlorine cation [FClH]+ (g) 975.3 972.3 ± 2.0 kJ/mol 55.45849 ± 0.00090 70110-64-4*0 Formyloxoniumylidene [HC(O)O]+ (g) 1017.3 1013.8 ± 1.4 kJ/mol 45.0169 ± 0.0010 54375-27-8*0 Dioxymethylene HCOO (g, trans) 364.0 361.6 ± 2.7 kJ/mol 45.0174 ± 0.0010 438586-67-5*1 2-Hydrotrioxy cation [OO(H)O]+ (g) 1297.9 1291.3 ± 1.5 kJ/mol 49.00559 ± 0.00090 *74241-49-9*0 Cyanic acid HOCN (g) -12.20 -14.91 ± 0.49 kJ/mol 43.02478 ± 0.00086 420-05-3*0 Fulminic acid HONC (g) 235.38 233.68 ± 0.48 kJ/mol 43.02478 ± 0.00086 506-85-4*0 Isocyanate [NCO]- (g) -221.09 -221.31 ± 0.54 kJ/mol 42.01739 ± 0.00086 71000-82-3*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 Dimethylmethyleneammonium [(CH3)2NCH2]+ (g) 695.9 670.8 ± 1.4 kJ/mol 58.1018 ± 0.0025 28149-27-1*0 Isocyanogen CNCN (g) 410.8 413.1 ± 1.7 kJ/mol 52.0349 ± 0.0016 83951-85-3*0 Diisocyanogen CNNC (g) 610.2 613.1 ± 1.8 kJ/mol 52.0349 ± 0.0016 78800-21-2*0 Cyanoamidogen HNCN (g) 325.0 322.6 ± 1.8 kJ/mol 41.03212 ± 0.00082 12347-01-2*0 Trichloromethide [CCl3]- (g) -125.0 -124.4 ± 2.0 kJ/mol 118.3693 ± 0.0028 14478-07-0*0 Oxygen anion monohydrate [(HOH)O]- (g) -239.1 -244.4 ± 3.0 kJ/mol 34.01523 ± 0.00062 31748-17-1*0 Deuterium atom D (g) 219.804 221.717 ± 0.000 kJ/mol 2.01410177800 ± 0.00000000040 16873-17-9*0 Chlorine difluoride cation [FClF]+ (g) 998.9 996.7 ± 1.7 kJ/mol 73.44896 ± 0.00090 32629-46-2*0 Trichloroethene CHClCCl2 (g) -10.8 -14.1 ± 1.6 kJ/mol 131.3874 ± 0.0031 79-01-6*0 2-Hydrotrioxy anion [OO(H)O]- (g) 27.5 21.8 ± 1.4 kJ/mol 49.00669 ± 0.00090 *89965-38-8*0 Bromodichloromethane CHCl2Br (g) -37.6 -49.3 ± 1.3 kJ/mol 163.8280 ± 0.0022 75-27-4*0 Difluorodibromomethane CF2Br2 (g) -366.0 -383.7 ± 1.4 kJ/mol 209.8155 ± 0.0022 75-61-6*0 Dichlorodibromomethane CCl2Br2 (g) 20.7 5.0 ± 1.5 kJ/mol 242.7241 ± 0.0028 594-18-3*0 Bromodifluoromethane CHF2Br (g) -410.85 -424.05 ± 0.49 kJ/mol 130.9194 ± 0.0013 1511-62-2*0 Oxofluoronium [FO]+ (g) 1342.64 1342.59 ± 0.81 kJ/mol 34.99725 ± 0.00030 12763-67-6*0 1,2-Difluoroethane CH2FCH2F (g) -434.44 -447.87 ± 0.86 kJ/mol 66.0500 ± 0.0016 624-72-6*0 1,2-Difluoroacetylene FCCF (g) 2.77 5.59 ± 0.66 kJ/mol 62.0182 ± 0.0016 689-99-6*0 Fluoro(fluorooxy)methylene FCOF (g, trans) -38.8 -40.4 ± 2.1 kJ/mol 66.00691 ± 0.00085 479587-30-9*1 Phenylium [C6H5]+ (g, triplet) 1251.1 1238.0 ± 1.9 kJ/mol 77.1034 ± 0.0048 17333-73-2*1 Hydrogen difluoride cation [FFH]+ (g) 1174.3 1171.3 ± 1.5 kJ/mol 39.004198 ± 0.000070 *126950-54-7*0 Chlorobenzene cation [C6H5Cl]+ (g) 942.46 928.54 ± 0.61 kJ/mol 112.5561 ± 0.0049 55450-32-3*0 Chlorobenzene C6H5Cl (cr,l) 11.21 ± 0.59 kJ/mol 112.5566 ± 0.0049 108-90-7*500 Bromobenzene cation [C6H5Br]+ (g) 994.7 973.2 ± 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) 81.5 61.5 ± 1.4 kJ/mol 123.1094 ± 0.0049 98-95-3*0 Chlorine chlorite ClOClO (g, gauche) 168.6 166.2 ± 1.3 kJ/mol 102.9042 ± 0.0019 105206-44-8*3 Methyl nitrite CH3ONO (g, cis-trans equilib) -55.58 -66.25 ± 0.45 kJ/mol 61.0401 ± 0.0010 624-91-9*0 Carbon atom anion C- (g) 589.631 594.777 ± 0.049 kJ/mol 12.01125 ± 0.00080 14337-00-9*0 Dioxymethylidyne COO (g) 299.8 301.1 ± 1.7 kJ/mol 44.00950 ± 0.00100 791121-04-5*0 Nitronium [ONO]+ (g) 961.78 958.22 ± 0.20 kJ/mol 46.00499 ± 0.00060 14522-82-8*0 Trifluoromethide [CF3]- (g) -637.7 -639.5 ± 1.8 kJ/mol 69.00646 ± 0.00080 54128-17-5*0 2-Cyclopropyn-1-ylidene C(CC) (g, triplet) 899.2 906.1 ± 1.6 kJ/mol 36.0321 ± 0.0024 102508-15-6*1 Propynylidyne cation [C(CC)]+ (g) 1947.0 1954.9 ± 2.0 kJ/mol 36.0316 ± 0.0024 154702-35-9*0 Dioxaziridinyl N(OO) (g) 355.1 352.6 ± 1.5 kJ/mol 46.00554 ± 0.00060 66252-29-7*0 Hydrogen fluoride HF (aq, 50 H2O) -321.14 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*822 Bromo hypobromite BrOBr (g) 120.1 103.7 ± 1.4 kJ/mol 175.8074 ± 0.0020 21308-80-5*0 Ethylene cation [CH2CH2]+ (g) 1075.22 1068.01 ± 0.12 kJ/mol 28.0526 ± 0.0016 34470-02-5*0 Peroxyimidogen NOO (g) 405.4 403.4 ± 1.9 kJ/mol 46.00554 ± 0.00060 *60488-31-5*0 Chlorosyl ion [ClO]+ (g) 1150.85 1150.69 ± 0.66 kJ/mol 51.45155 ± 0.00095 12301-79-0*0 Hydrogen fluoride HF (aq, 35 H2O) -321.10 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*904 Iminomethyl anion [HCNH]- (g, trans) 237.4 233.6 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*1 Fluoronium [HFH]+ (g) 774.10 771.16 ± 0.88 kJ/mol 21.01373 ± 0.00014 12206-67-6*0 Cyanogen iodide anion [ICN]- (g) 86.5 88.8 ± 8.1 kJ/mol 152.92246 ± 0.00080 1356929-44-6*0 Oxadiazirine O(NN) (g) 351.7 349.8 ± 1.7 kJ/mol 44.01288 ± 0.00033 227934-45-4*0 Formaldehyde cation [CH2O]+ (g) 944.89 941.27 ± 0.10 kJ/mol 30.02543 ± 0.00087 54288-05-0*0 Iodine atom I (g, 2P3/2) 107.157 106.757 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*1 NON NON (g) 545.5 542.3 ± 1.7 kJ/mol 44.01288 ± 0.00033 227934-46-5*0 Isoformyl anion [COH]- (g, triplet) 267.4 268.0 ± 1.6 kJ/mol 29.01859 ± 0.00086 81747-63-9*2 Fluoronium [(HF)(H)]+ (g, triplet) 1490.1 1491.5 ± 1.9 kJ/mol 21.01373 ± 0.00014 12206-67-6*1 Azidonitrene NNNN (g, Cs) 692.1 687.5 ± 1.4 kJ/mol 56.02696 ± 0.00028 147363-92-6*2 Dioxygenyl ion monohydrate [(H2O)(O2)]+ (g) 828.7 821.6 ± 2.1 kJ/mol 50.01353 ± 0.00091 11083-61-7*0 Diazenide [NNH]- (g, vdW) 175.7 176.7 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*100 Chlorite [OClO]- (g) -105.62 -107.80 ± 0.35 kJ/mol 67.4520 ± 0.0011 14998-27-7*0 2-Propynylium [CH2CCH]+ (g) 1193.46 1190.65 ± 0.38 kJ/mol 39.0554 ± 0.0024 21540-27-2*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 Dihydrogen fluoride anion [(F)(HH)]- (g, singlet) -257.0 -260.1 ± 1.9 kJ/mol 21.01483 ± 0.00014 *117339-92-1*2 Propynylidene HCCCH (g, cis singlet) 597.6 599.3 ± 1.2 kJ/mol 38.0480 ± 0.0024 67152-18-5*3 Propenediylidene CHCHC (g) 796.3 797.4 ± 1.3 kJ/mol 38.0480 ± 0.0024 60731-11-5*0 Cyclopentene CH2(CH2CHCHCH2) (g) 58.09 33.82 ± 0.45 kJ/mol 68.1170 ± 0.0040 142-29-0*0 Ethyloxoniumyl [CH3CH2OH]+ (g) 783.6 766.5 ± 1.7 kJ/mol 46.0679 ± 0.0017 34480-55-2*0 1-Hydroxyethylium [CH3CHOH]+ (g) 609.13 594.70 ± 0.39 kJ/mol 45.0600 ± 0.0017 18682-96-7*0 Hydrogen difluoride (F)(HF) (g, perp) -187.4 -187.1 ± 1.6 kJ/mol 39.004746 ± 0.000070 12528-21-1*2 Peroxychlorite [OClOO]- (g) -34.3 -34.2 ± 2.0 kJ/mol 83.4514 ± 0.0013 852472-63-0*0 Trihydrogen dioxide anion [HOHOH]- (g) -487.5 -495.8 ± 1.1 kJ/mol 35.02317 ± 0.00064 12501-19-8*0 1-Chloro ozone ClOOO (g, cis vdW) 226.3 223.1 ± 2.3 kJ/mol 83.4509 ± 0.0013 141801-66-3*101 Acetaldehyde cation [CH3CHO]+ (g) 832.03 822.05 ± 0.28 kJ/mol 44.0520 ± 0.0017 36505-03-0*0 Oxiranylium [CH2(CHO)]+ (g, triplet) 1233.6 1226.6 ± 1.8 kJ/mol 43.0441 ± 0.0016 57789-76-1*1 Oxiranyl anion [CH2(CHO)]- (g) 121.3 113.2 ± 1.6 kJ/mol 43.0452 ± 0.0016 72722-59-9*0 Ketene CH2CO (g, singlet) -45.37 -48.49 ± 0.13 kJ/mol 42.0367 ± 0.0016 463-51-4*2 Fluorochlorate [ClF]- (g) -256.03 -255.43 ± 0.81 kJ/mol 54.45165 ± 0.00090 12272-56-9*0 Ethynol anion [HCCO]- (g) -48.51 -47.26 ± 0.89 kJ/mol 41.0293 ± 0.0016 64066-01-9*0 Dicarbon monoxide anion [CCO]- (g) 154.4 158.0 ± 1.1 kJ/mol 40.0213 ± 0.0016 87191-88-6*0 Dicarbon monoxide CCO (g, singlet) 440.4 444.7 ± 1.1 kJ/mol 40.0208 ± 0.0016 12071-23-7*2 COC vdW (CO)(C) (g, singlet) 725.2 733.5 ± 2.0 kJ/mol 40.0208 ± 0.0016 *12071-24-8*2 C=O-C cation [COC]+ (g, doublet) 1575.8 1582.9 ± 2.4 kJ/mol 40.0203 ± 0.0016 83483-98-1*1 C=O=C anion [COC]- (g) 549.8 553.5 ± 2.2 kJ/mol 40.0213 ± 0.0016 *87191-88-6*0 Hydroxyimidogen NOH (g) 217.93 215.04 ± 0.90 kJ/mol 31.01408 ± 0.00032 35337-59-8*0 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 Nitrous acid HONO (g, cis) -71.39 -77.74 ± 0.29 kJ/mol 47.01348 ± 0.00061 7782-77-6*2 OH-CO vdW complex (OH)(CO) (g, vdW) -80.31 -77.42 ± 0.96 kJ/mol 45.0174 ± 0.0010 *2564-85-4*100 CO-HO vdW complex (CO)(HO) (g, vdW) -77.6 -73.6 ± 1.8 kJ/mol 45.0174 ± 0.0010 *2564-84-3*100 H-CO2 vdW complex (H)(CO2) (g, vdW) -179.3 -178.3 ± 2.2 kJ/mol 45.0174 ± 0.0010 *2564-83-2*100 Dibromide [Br2]- (g) -199.2 -213.3 ± 2.0 kJ/mol 159.8085 ± 0.0020 12595-70-9*0 Isocyanic acid cation [HNCO]+ (g) 1003.04 1000.38 ± 0.51 kJ/mol 43.02423 ± 0.00086 444010-28-0*0 Isofulminic acid cation [HCNO]+ (g) 1215.8 1213.0 ± 1.3 kJ/mol 43.02423 ± 0.00086 114766-65-3*0 Acetic acid CH3C(O)OH (aq, 1500 H2O) -484.93 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*840 Dioxygen O2 (g, singlet) 94.410 94.383 ± 0.000 kJ/mol 31.99880 ± 0.00060 7782-44-7*2 Acetyl chloride CH3C(O)Cl (l) -272.22 ± 0.33 kJ/mol 78.4973 ± 0.0019 75-36-5*500 Chlorohydrofluorine cation [ClFH]+ (g) 1000.8 998.1 ± 2.1 kJ/mol 55.45849 ± 0.00090 70110-63-3*0 (Formyloxy)methyl HC(O)OCH2 (g, syn) -148.7 -156.9 ± 1.7 kJ/mol 59.0440 ± 0.0017 3122-12-1*1 Glyoxal (CHO)2 (g, trans) -206.91 -212.55 ± 0.52 kJ/mol 58.0361 ± 0.0017 107-22-2*1 Chloride Cl- (aq) -166.993 ± 0.023 kJ/mol 35.45325 ± 0.00090 16887-00-6*800 Diazoethenylidene NNCC (g) 657.0 659.6 ± 3.0 kJ/mol 52.0349 ± 0.0016 130760-10-0*0 Isocyanomethylidyne CNC (g) 671.3 675.7 ± 3.6 kJ/mol 38.0281 ± 0.0016 53590-27-5*0 Fluorosyl fluoride FFO (g, triplet) 192.6 193.1 ± 2.3 kJ/mol 53.99621 ± 0.00030 86825-57-2*1 Diazomethyl HCNN (g) 472.9 470.4 ± 2.0 kJ/mol 41.03212 ± 0.00082 20813-32-5*0 Isocyanoamidogen HNNC (g) 492.8 490.8 ± 2.0 kJ/mol 41.03212 ± 0.00082 947408-73-3*0 Tetrachloromethane CCl4 (l) -108.76 -128.17 ± 0.45 kJ/mol 153.8215 ± 0.0037 56-23-5*500 Dichloromethylene anion [CCl2]- (g) 75.63 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) -41.3 -43.0 ± 2.0 kJ/mol 83.9246 ± 0.0020 32180-91-9*0 Chloromethylium [CH2Cl]+ (g) 962.4 958.5 ± 1.2 kJ/mol 49.4787 ± 0.0012 59000-00-9*0 Chloromethylene CHCl (g, triplet) 346.12 346.42 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*1 1,2-Dichloroethane CH2ClCH2Cl (cr,l) -165.63 ± 0.56 kJ/mol 98.9586 ± 0.0024 107-06-2*500 1,1-Dichloroethane CH3CHCl2 (cr,l) -163.40 ± 0.54 kJ/mol 98.9586 ± 0.0024 75-34-3*500 Chlorosyl chloride ClClO (g) 134.5 133.2 ± 1.4 kJ/mol 86.9048 ± 0.0018 86825-56-1*0 Hydroxydioxonitrate [HNO3]- (g) -190.5 -194.8 ± 3.2 kJ/mol 63.01343 ± 0.00091 58875-09-5*0 Chloroform CHCl3 (l) -133.73 ± 0.52 kJ/mol 119.3767 ± 0.0028 67-66-3*590 Chlorodibromomethane CHClBr2 (g) 18.8 -0.0 ± 3.4 kJ/mol 208.2793 ± 0.0023 124-48-1*0 Fluorotribromomethane CBr3F (g) -107.2 -131.2 ± 1.6 kJ/mol 270.7211 ± 0.0031 353-54-8*0 Chlorotribromomethane CBr3Cl (g) 77.3 54.4 ± 1.6 kJ/mol 287.1754 ± 0.0032 594-15-0*0 Chlorobromomethane CH2ClBr (g) -29.0 -43.0 ± 1.3 kJ/mol 129.3833 ± 0.0016 74-97-5*0 Fluoromethyliumylidene [CF]+ (g) 1122.67 1125.89 ± 0.48 kJ/mol 31.00855 ± 0.00080 33412-11-2*0 Fluoromethylene CHF (g) 148.34 148.62 ± 0.46 kJ/mol 32.01704 ± 0.00080 13453-52-6*0 Ethyl iodide CH3CH2I (g) 8.69 -7.19 ± 0.49 kJ/mol 155.9656 ± 0.0016 75-03-6*0 1,2-Dibromoacetylene BrCCBr (g) 333.3 322.4 ± 3.6 kJ/mol 183.8294 ± 0.0026 624-61-3*0 Azanylium [NH2]+ (g) 1266.55 1264.48 ± 0.12 kJ/mol 16.02207 ± 0.00016 15194-15-7*0 Fluoro(fluorooxy)methylene FCOF (g, vdW triplet) -100.9 -99.1 ± 2.1 kJ/mol 66.00691 ± 0.00085 479587-30-9*101 Fluorooxomethylium [FCO]+ (g) 724.6 724.3 ± 1.4 kJ/mol 47.00795 ± 0.00085 38264-00-5*0 Fluoroisoformyl COF (g) -38.8 -33.4 ± 2.0 kJ/mol 47.00850 ± 0.00085 *1871-24-5*0 Benzene cation [C6H6]+ (g) 992.47 976.00 ± 0.23 kJ/mol 78.1113 ± 0.0048 34504-50-2*0 Hydrogen fluoride HF (aq, 22 H2O) -321.04 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*902 Ammonia NH3 (aq, undissoc) -80.890 ± 0.053 kJ/mol 17.03056 ± 0.00022 7664-41-7*1000 Ammonium nitrate (NH4)NO3 (cr,l) -350.29 -365.25 ± 0.18 kJ/mol 80.04344 ± 0.00095 6484-52-2*500 2-Oxopropylium [CH3C(O)CH2]+ (g) 784.4 770.6 ± 1.8 kJ/mol 57.0707 ± 0.0024 54088-52-7*0 1,2-Dibromoethane (CBrH2)2 (g) -10.9 -37.8 ± 1.3 kJ/mol 187.8612 ± 0.0026 106-93-4*0 Nirous oxide cation [NNO]+ (g) 1329.67 1326.77 ± 0.12 kJ/mol 44.01233 ± 0.00033 12269-46-4*0 (E)-Diazene anion [HNNH]- (g, trans) 265.5 258.7 ± 2.0 kJ/mol 30.02991 ± 0.00020 *59952-06-6*0 Methylimidogen CH3N (g) 323.1 315.4 ± 1.7 kJ/mol 29.04126 ± 0.00083 27770-42-9*0 (Z)-Diazene cation [HNNH]+ (g, cis) 1157.0 1150.1 ± 1.3 kJ/mol 30.02881 ± 0.00020 86631-37-0*0 Iminomethyl anion [HCNH]- (g, cis) 252.7 248.9 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*2 Hydrogen cyanide cation [HCN]+ (g) 1442.52 1442.06 ± 0.20 kJ/mol 27.02483 ± 0.00081 12601-62-6*0 1-Hydrazinylium-1-yl [NNH2]+ (g) 1143.4 1136.4 ± 1.4 kJ/mol 30.02881 ± 0.00020 63986-30-1*0 Diiodide [I2]- (g) -178.13 -180.72 ± 0.48 kJ/mol 253.809489 ± 0.000060 12190-71-5*0 Methyleneoxonium cation [CH2OH2]+ (g) 827.8 818.3 ± 1.7 kJ/mol 32.04131 ± 0.00090 *177788-17-9*0 Hydroxymethanide [CH2OH]- (g) 9.4 2.8 ± 1.7 kJ/mol 31.03447 ± 0.00088 55830-71-2*0 Formaldehyde CH2O (g, singlet) -105.347 -109.186 ± 0.098 kJ/mol 30.02598 ± 0.00087 50-00-0*2 Hydrogen peroxide cation [H2O2]+ (g, cis) 930.4 923.6 ± 1.0 kJ/mol 34.01413 ± 0.00062 12325-10-9*2 Oxadiazirine anion [O(NN)]- (g) 95.1 95.5 ± 2.9 kJ/mol 44.01343 ± 0.00033 350586-31-1*0 Hydroxymethylene cation [HCOH]+ (g, cis) 986.4 982.8 ± 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 Trioxidaniumyl [HOOOH]+ (g, c, t) 935.4 926.4 ± 1.6 kJ/mol 50.01353 ± 0.00091 161321-37-5*3 Peroxyformic acid HC(O)OOH (g, trans) -265.8 -273.8 ± 1.7 kJ/mol 62.0248 ± 0.0012 107-32-4*2 Peroxyformic acid HC(O)OOH (g, gauche) -265.6 -273.5 ± 1.6 kJ/mol 62.0248 ± 0.0012 107-32-4*3 Hydrogen fluoride HF (aq, 10 H2O) -320.86 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*815 Diazenide [NNH]- (g, triplet) 347.5 344.6 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*1 Fluorodioxidanide [FOO]- (g) -256.9 -256.1 ± 1.9 kJ/mol 50.99775 ± 0.00060 23553-17-5*0 Propynylidene cation [HCCCH]+ (g) 1410.8 1413.4 ± 1.3 kJ/mol 38.0474 ± 0.0024 75123-91-0*0 Propynylidene HCCCH (g, trans singlet) 597.3 599.1 ± 1.1 kJ/mol 38.0480 ± 0.0024 67152-18-5*4 Hydroxylamine NH2OH (g, cis) -15.0 -25.5 ± 1.9 kJ/mol 33.02996 ± 0.00037 7803-49-8*2 Propadienylidenide [CH2CC]- (g) 381.16 382.06 ± 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 Hydroxylamine cation [NH2OH]+ (g) 857.9 848.0 ± 2.2 kJ/mol 33.02941 ± 0.00037 62675-55-2*0 Dihydrogen fluoride anion [(HF)(H)]- (g, singlet) -61.9 -60.5 ± 3.2 kJ/mol 21.01483 ± 0.00014 117339-92-1*2 Hydrogen chloride HCl (aq, 75 H2O) -165.559 ± 0.026 kJ/mol 36.46064 ± 0.00090 7647-01-0*825 Nitroxyl cation [H2NO]+ (g) 946.15 939.02 ± 0.87 kJ/mol 32.02147 ± 0.00034 *51375-41-8*0 n-Pentane CH3CH2CH2CH2CH3 (cr,l) -156.15 -173.12 ± 0.31 kJ/mol 72.1488 ± 0.0041 109-66-0*500 iso-Pentane CH3CH2CH(CH3)2 (l) -178.53 ± 0.44 kJ/mol 72.1488 ± 0.0041 78-78-4*500 neo-Pentane C(CH3)4 (l) -189.96 ± 0.40 kJ/mol 72.1488 ± 0.0041 463-82-1*500 Cyclopentane CH2(CH2CH2CH2CH2) (l) -106.29 ± 0.44 kJ/mol 70.1329 ± 0.0041 287-92-3*590 1,5-Hexadiene CH2CHCH2CH2CHCH2 (g) 108.34 83.75 ± 0.40 kJ/mol 82.1436 ± 0.0049 592-42-7*0 Chlorine oxide peroxide OClOO (g, vdW) 226.5 227.4 ± 2.5 kJ/mol 83.4509 ± 0.0013 141801-67-4*100 2-Hydroxyethylium [CH2CH2OH]+ (g, gauche) 1024.4 1011.8 ± 2.3 kJ/mol 45.0600 ± 0.0017 38607-31-7*1 Ethoxy CH3CH2O (g) 1.84 -11.59 ± 0.52 kJ/mol 45.0605 ± 0.0017 2154-50-9*0 Ethyloxoniumylidene [CH3CH2O]+ (g) 988.8 975.1 ± 1.9 kJ/mol 45.0600 ± 0.0017 54387-07-4*0 Dihydrogen fluoride (H)(HF) (g) -55.9 -54.9 ± 1.6 kJ/mol 21.01428 ± 0.00014 12592-22-2*1 Hydroxyaminylium [HNOH]+ (g, cis) 1048.6 1041.5 ± 2.6 kJ/mol 32.02147 ± 0.00034 66097-71-0*2 Nitrosyl fluoride FNO (g) -85.82 -88.18 ± 0.93 kJ/mol 49.00454 ± 0.00031 7789-25-5*0 Formylmethyl anion [CH2CHO]- (g, perp triplet) 140.5 134.2 ± 1.9 kJ/mol 43.0452 ± 0.0016 64723-93-9*0 Hydroxyamidogen anion [HNOH]- (g) 90.9 85.0 ± 2.9 kJ/mol 32.02257 ± 0.00034 *66097-71-0*0 Dicarbon monoxide cation [CCO]+ (g) 1434.0 1439.1 ± 2.2 kJ/mol 40.0203 ± 0.0016 12287-08-0*0 1,3-Butadiyne-1,4-diyl CCCC (g) 1052.45 1062.43 ± 0.67 kJ/mol 48.0428 ± 0.0032 78015-07-3*0 C=O-C cation [COC]+ (g, quartet) 1812.6 1816.6 ± 2.4 kJ/mol 40.0203 ± 0.0016 83483-98-1*2 1-Chloro ozone anion [ClOOO]- (g, perp) -108.9 -111.4 ± 2.2 kJ/mol 83.4514 ± 0.0013 224299-15-4*3 Oxirene cation [O(CHCH)]+ (g) 1109.0 1105.5 ± 5.2 kJ/mol 42.0361 ± 0.0016 94664-69-4*0 1-Chloro ozone anion [ClOOO]- (g, cis) -66.8 -68.7 ± 2.1 kJ/mol 83.4514 ± 0.0013 224299-15-4*1 Dihydrogen cation [H2]+ (g) 1488.364 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*0 Nitrosyl nitrate ON(O2)NO (g, perp) 70.6 62.3 ± 1.8 kJ/mol 92.0111 ± 0.0012 *15969-55-8*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 Bifluoride [FHF]- (g) -705.22 -709.07 ± 0.36 kJ/mol 39.005295 ± 0.000070 18130-74-0*0 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) 1075.0 1068.6 ± 1.8 kJ/mol 46.0248 ± 0.0010 232262-11-2*0 Deuterium atom cation D+ (g) 1532.210 1534.123 ± 0.000 kJ/mol 2.01355319809 ± 0.00000000040 14464-47-2*0 Dioxymethylene HCOO (g, cis) 341.1 338.9 ± 3.4 kJ/mol 45.0174 ± 0.0010 438586-67-5*2 Dioxofluorine OFO (g) 524.0 523.2 ± 1.1 kJ/mol 50.99720 ± 0.00060 175861-93-5*0 Trifluoride ion [F3]- (g) -348.9 -349.7 ± 2.6 kJ/mol 56.9957582 ± 0.0000015 25730-99-8*0 Cyanato cation [NCO]+ (g) 1261.56 1262.07 ± 0.59 kJ/mol 42.01629 ± 0.00086 17247-99-3*0 Nitrous acid HONO (g) -73.023 -78.680 ± 0.079 kJ/mol 47.01348 ± 0.00061 7782-77-6*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 Acetic acid CH3C(O)OH (l) -484.11 -483.68 ± 0.18 kJ/mol 60.0520 ± 0.0017 64-19-7*500 Acetic acid CH3C(O)OH (aq, 75 H2O) -484.73 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*825 Acetic acid CH3C(O)OH (aq, 700 H2O) -484.91 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*835 Dioxaziridinyl cation [N(OO)]+ (g) 1365.8 1363.3 ± 1.7 kJ/mol 46.00499 ± 0.00060 *66252-29-7*0 (Formyloxy)methyl HC(O)OCH2 (g, anti) -133.6 -141.8 ± 2.2 kJ/mol 59.0440 ± 0.0017 3122-12-1*2 Ethane cation [CH3CH3]+ (g) 1043.20 1029.19 ± 0.60 kJ/mol 30.0685 ± 0.0017 34488-65-8*0 Glyoxal (CHO)2 (g, cis) -188.51 -193.95 ± 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 Fluoroniumyl ion [HF]+ (g) 1275.556 1275.788 ± 0.050 kJ/mol 20.005795 ± 0.000070 12381-92-9*0 Dimethylaminylium [(CH3)2N]+ (g) 1040.0 1024.6 ± 1.8 kJ/mol 44.0752 ± 0.0017 49784-85-2*0 Isocyanogen anion [CNCN]- (g, trans) 383.7 387.4 ± 2.6 kJ/mol 52.0354 ± 0.0016 *83951-85-3*1 Diisocyanogen cation [CNNC]+ (g, trans) 1823.1 1825.9 ± 3.5 kJ/mol 52.0343 ± 0.0016 *78800-21-2*1 Cyanomethylidyne CCN (g) 676.1 680.5 ± 1.9 kJ/mol 38.0281 ± 0.0016 4120-02-9*0 Dioxaziridinyl anion [N(OO)]- (g) 295.9 293.4 ± 1.7 kJ/mol 46.00609 ± 0.00060 66252-31-1*0 Perchloryloxy OCl(O)(O)O (g) 248.6 241.0 ± 1.8 kJ/mol 99.4503 ± 0.0015 12133-63-0*0 Hydrogen fluoride HF (aq, 60 H2O) -321.16 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*823 Dichloromethylene CCl2 (g, triplet) 313.62 314.82 ± 0.90 kJ/mol 82.9161 ± 0.0020 1605-72-7*1 Perchlorate [OCl(O)(O)O]- (g) -263.2 -272.1 ± 2.2 kJ/mol 99.4508 ± 0.0015 14797-73-0*0 Trioxidanylium [HOOO]+ (g, cis) 1085.3 1079.1 ± 1.5 kJ/mol 49.00559 ± 0.00090 74241-49-9*2 Azidonitrene NNNN (g, C2h) 660.8 657.6 ± 1.6 kJ/mol 56.02696 ± 0.00028 147363-92-6*1 Ethylene anion [CH2CH2]- (g, anti ?) 232.1 224.5 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*1 Chloromethyliumyl [CHCl]+ (g) 1207.3 1207.6 ± 2.0 kJ/mol 48.4708 ± 0.0012 89877-51-0*0 Chloromethylene anion [CHCl]- (g) 203.42 204.23 ± 0.94 kJ/mol 48.4719 ± 0.0012 75466-08-9*0 Chlorohydroxymethyl CH(Cl)OH (g, anti-gauche) -46.0 -51.6 ± 2.0 kJ/mol 65.4787 ± 0.0012 147139-06-8*2 1,1,2-Trichloroethane CH2ClCHCl2 (l) -188.5 ± 1.4 kJ/mol 133.4033 ± 0.0031 79-00-5*500 Hexachloroethane CCl3CCl3 (cr,l) -216.6 ± 2.9 kJ/mol 236.7376 ± 0.0056 67-72-1*500 trans-1,2-Dichloroethene CHClCHCl (g, trans) 5.29 -0.13 ± 0.56 kJ/mol 96.9427 ± 0.0024 156-60-5*0 Chlorine difluoride anion [FClF]- (g) -504.9 -505.8 ± 1.9 kJ/mol 73.45005 ± 0.00090 16892-05-0*0 Tetrachloroethene CCl2CCl2 (l) -62.9 ± 1.1 kJ/mol 165.8322 ± 0.0039 127-18-4*500 Azanylium [NH3]+ (g) 944.272 937.318 ± 0.030 kJ/mol 17.03001 ± 0.00022 19496-55-0*0 Hydrofluorate ion [HF]- (g) -75.6 -75.1 ± 1.8 kJ/mol 20.006892 ± 0.000070 37249-79-9*0 Chlorine difluoride ClFF (g) 22.5 23.8 ± 1.9 kJ/mol 73.44951 ± 0.00090 91483-78-2*0 Nitric acid HNO3 (aq, 1000 H2O) -206.31 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*839 Hydrogen chloride HCl (aq, 2000 H2O) -166.685 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*841 Fluorochlorobromomethane CHFClBr (g) -219.3 -231.7 ± 5.5 kJ/mol 147.3737 ± 0.0016 593-98-6*0 Fluoromethyliumyl [CHF]+ (g) 1116.9 1117.2 ± 2.4 kJ/mol 32.01649 ± 0.00080 89877-52-1*0 Fluoromethylene anion [CHF]- (g) 95.94 96.47 ± 0.64 kJ/mol 32.01759 ± 0.00080 71267-42-0*0 Peroxyimidogen cation [NOO]+ (g) 1409.6 1406.8 ± 1.9 kJ/mol 46.00499 ± 0.00060 *60488-32-6*0 Fluorodioxidenium [FOO]+ (g) 1221.9 1219.5 ± 2.0 kJ/mol 50.99665 ± 0.00060 139584-95-5*0 Polytetrafluoroethylene C2F4 (s) -829.49 ± 0.58 kJ/mol 100.0150 ± 0.0016 9002-84-0*591 Nitric acid HNO3 (cr,l) -179.01 -173.29 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*500 Dihydrooxooxygen cation [(H2O)O]+ (g) 994.5 987.8 ± 1.6 kJ/mol 34.01413 ± 0.00062 177329-59-8*0 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 Bromoacetylene HCCBr (g) 282.4 275.9 ± 2.2 kJ/mol 104.9333 ± 0.0019 593-61-3*0 Formyl fluoride cation [HFCO]+ (g) 816.6 813.3 ± 1.3 kJ/mol 48.01589 ± 0.00086 99766-68-4*0 Formyl fluoride [FCO]- (g) -405.4 -403.9 ± 1.8 kJ/mol 47.00905 ± 0.00085 62227-71-8*0 Fluoroisoformyl cation [COF]+ (g) 1347.5 1348.9 ± 2.5 kJ/mol 47.00795 ± 0.00085 *1871-25-6*0 Hydrogen fluoride HF (aq, 18 H2O) -321.01 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*901 Aminyliumyl [NH]+ (g) 1659.03 1659.96 ± 0.24 kJ/mol 15.014131 ± 0.000099 19067-62-0*0 Peroxyimidogen anion [NOO]- (g) 165.0 162.7 ± 1.7 kJ/mol 46.00609 ± 0.00060 60488-31-5*0 Fluorosyl fluoride anion [FFO]- (g, doublet) -147.2 -146.9 ± 3.0 kJ/mol 53.99675 ± 0.00030 *86825-57-2*2 Hydrogen fluoride HF (l) -302.39 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*590 o-Benzyne cation [C6H4]+ (g) 1393.8 1385.8 ± 1.7 kJ/mol 76.0954 ± 0.0048 70220-84-7*0 m-Benzyne cation [C6H4]+ (g) 1365.5 1357.0 ± 1.9 kJ/mol 76.0954 ± 0.0048 121058-08-0*0 p-Benzyne C6H4 (g, triplet) 603.5 594.2 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*1 Hydrogen bromide HBr (aq, 600 H2O) -120.23 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*834 Xenon cation Xe+ (g) 1170.354 1170.354 ± 0.0062 kJ/mol 131.2895 ± 0.0200 24203-25-6*0 Hydrogen bromide HBr (aq, 5000 H2O) -120.52 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*844 Acetylene anion [HCCH]- (g, trans ?) 356.9 356.7 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*1 Krypton hydride cation [KrH]+ (g) 1106.33 1104.55 ± 0.69 kJ/mol 84.8074 ± 0.1000 37276-90-7*0 Allylium [CH2CHCH2]+ (g) 964.09 952.53 ± 0.55 kJ/mol 41.0713 ± 0.0024 1724-44-3*0 Allyl anion [CH2CHCH2]- (g) 133.02 123.27 ± 0.86 kJ/mol 41.0723 ± 0.0024 1724-46-5*0 1-Propenyl cation [CH3CHCH]+ (g, cis) 1232.6 1222.3 ± 1.7 kJ/mol 41.0713 ± 0.0024 50457-58-4*2 1-Propenyl anion [CH3CHCH]- (g, cis) 203.6 192.4 ± 1.8 kJ/mol 41.0723 ± 0.0024 65887-20-9*2 1-Propenyl cation [CH3CHCH]+ (g, trans) 1234.3 1223.9 ± 1.7 kJ/mol 41.0713 ± 0.0024 50457-58-4*1 1-Propenyl anion [CH3CHCH]- (g, trans) 210.2 199.1 ± 1.8 kJ/mol 41.0723 ± 0.0024 65887-20-9*1 Methylimidogen anion [CH3N]- (g) 321.1 313.5 ± 1.8 kJ/mol 29.04181 ± 0.00083 82539-34-2*0 Trioxodinitrate anion [ONNO2]- (g, non-vdW) -88.5 -95.6 ± 2.1 kJ/mol 76.01223 ± 0.00091 194856-62-7*1 Hydrogen fluoride HF (aq, 55 H2O) -321.16 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*905 Trioxidanylium [HOOO]+ (g) 1070.6 1064.3 ± 1.4 kJ/mol 49.00559 ± 0.00090 74241-49-9*0 Cycloprop-2-enylium [CH(CHCH)]+ (g) 1080.7 1075.6 ± 1.4 kJ/mol 39.0554 ± 0.0024 26810-74-2*0 Ethynylene cation [C2]+ (g) 1967.9 1974.5 ± 1.9 kJ/mol 24.0209 ± 0.0016 12595-79-8*0 Methyleneaminylium [CH2N]+ (g, triplet) 1456.6 1453.0 ± 2.2 kJ/mol 28.03277 ± 0.00082 53518-13-1*1 Propynylidene HCCCH (g) 543.38 546.38 ± 0.63 kJ/mol 38.0480 ± 0.0024 67152-18-5*0 Hypobromous acid cation [HOBr]+ (g) 974.82 964.20 ± 0.64 kJ/mol 96.9108 ± 0.0010 154804-02-1*0 Cyclopropyne CH2(CC) (g) 791.3 790.8 ± 1.4 kJ/mol 38.0480 ± 0.0024 60701-63-5*0 Cyclopropenyliumdiyl [CH(CC)]+ (g) 1692.0 1694.9 ± 1.9 kJ/mol 37.0395 ± 0.0024 127476-05-5*0 Cyclopropynyl anion [CH(CC)]- (g) 517.8 520.8 ± 1.1 kJ/mol 37.0406 ± 0.0024 136861-42-2*0 Hypochlorous acid cation [HOCl]+ (g) 998.91 995.86 ± 0.90 kJ/mol 52.45949 ± 0.00095 71606-47-8*0 Nitrate [NO3]- (aq) -206.63 ± 0.18 kJ/mol 62.00549 ± 0.00090 14797-55-8*800 Hypofluorous acid anion [HOF]- (g, quartet) 155.3 154.7 ± 2.6 kJ/mol 36.00629 ± 0.00031 36505-07-4*2 Nitrogen hydride oxide H3NO (g) 71.6 60.4 ± 2.0 kJ/mol 33.02996 ± 0.00037 38544-48-8*0 Nirous oxide anion [NNO]- (g) 99.2 96.6 ± 1.9 kJ/mol 44.01343 ± 0.00033 12274-12-3*0 Hydrogen chloride HCl (aq, 140 H2O) -165.948 ± 0.026 kJ/mol 36.46064 ± 0.00090 7647-01-0*907 Aminomethyliumylidene [CNH2]+ (g) 1168.3 1165.1 ± 2.2 kJ/mol 28.03277 ± 0.00082 86784-42-1*0 Cyclopentene CH2(CH2CHCHCH2) (l) 4.98 ± 0.42 kJ/mol 68.1170 ± 0.0040 142-29-0*590 Hydrogen chloride HCl (aq, 1500 H2O) -166.639 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*840 Nitroxyl anion [H2NO]- (g) 48.7 41.7 ± 2.0 kJ/mol 32.02257 ± 0.00034 51375-41-8*0 Tribromide [Br3]- (g) -287.6 -308.0 ± 1.9 kJ/mol 239.7125 ± 0.0030 14522-80-6*0 Nitrosyl nitrite ONONO (g, t, c) 109.3 105.2 ± 1.8 kJ/mol 76.01168 ± 0.00091 122413-35-8*2 Ethanol CH3CH2OH (l) -269.34 -277.10 ± 0.21 kJ/mol 46.0684 ± 0.0017 64-17-5*500 Hydrogen chloride HCl (aq, 74 H2O) -165.548 ± 0.027 kJ/mol 36.46064 ± 0.00090 7647-01-0*953 Methylammoniumyl [CH3NH2]+ (g) 865.1 851.2 ± 1.8 kJ/mol 31.05659 ± 0.00088 34516-31-9*0 1-Hydroxyethyl anion [CH3CHOH]- (g) -19.9 -33.3 ± 2.9 kJ/mol 45.0610 ± 0.0017 88032-18-2*0 1,2-Propadien-1-yl-3-ylidene anion [CCC]- (g) 621.9 629.3 ± 1.3 kJ/mol 36.0326 ± 0.0024 109292-47-9*0 Trifluorine cation [F3]+ (g) 1529.5 1527.4 ± 2.3 kJ/mol 56.9946610 ± 0.0000015 64710-22-1*0 2-Cyclopropyn-1-ylidene C(CC) (g, singlet) 993.8 1000.6 ± 2.5 kJ/mol 36.0321 ± 0.0024 102508-15-6*2 Acetaldehyde anion [CH3CHO]- (g) -61.8 -72.1 ± 2.1 kJ/mol 44.0531 ± 0.0017 60427-04-5*0 Hydrogen chloride HCl (aq, 2439 H2O) -166.714 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*951 Propynylidyne anion [C(CC)]- (g) 664.9 672.2 ± 1.6 kJ/mol 36.0326 ± 0.0024 500574-36-7*0 Ketene cation [CH2CO]+ (g) 882.20 879.18 ± 0.13 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) 1139.3 1142.1 ± 2.9 kJ/mol 41.0282 ± 0.0016 92056-63-8*0 Bicyclo[1.1.0]buta-1,3-diene-2,4-diyl C(CC)C (g) 1047.48 1055.08 ± 0.72 kJ/mol 48.0428 ± 0.0032 12184-80-4*0 Hydrooxonitrate [HNO]- (g) 78.59 75.67 ± 0.99 kJ/mol 31.01463 ± 0.00032 66057-02-1*0 Triazirine HN(NN) (g) 464.1 457.6 ± 2.6 kJ/mol 43.02816 ± 0.00022 157-29-9*0 Ethynol cation [HCCOH]+ (g) 1063.5 1061.3 ± 2.9 kJ/mol 42.0361 ± 0.0016 84005-02-7*0 Methyl hydroperoxide cation [CH3OOH]+ (g) 833.5 820.3 ± 2.2 kJ/mol 48.0407 ± 0.0010 112465-88-0*0 Methoxyoxoniumylidene [CH3OO]+ (g) 1012.9 1004.6 ± 2.0 kJ/mol 47.0328 ± 0.0010 86475-50-5*0 Hydroxyimidogen anion [NOH]- (g) 229.9 227.4 ± 2.3 kJ/mol 31.01463 ± 0.00032 *35337-59-8*0 Dioxirane anion [CH2(OO)]- (g) -170.4 -177.2 ± 3.9 kJ/mol 46.0259 ± 0.0010 *157-26-6*0 Peroxychloric acid HOOCl(O)O (g) 77.5 69.3 ± 2.6 kJ/mol 100.4582 ± 0.0015 177778-91-5*0 Dioxymethyl anion [CH2OO]- (g) 55.0 49.8 ± 1.4 kJ/mol 46.0259 ± 0.0010 93207-29-5*0 Hypochlorous acid anion [HOCl]- (g) 198.7 198.3 ± 2.5 kJ/mol 52.46059 ± 0.00095 34524-94-2*0 Methylamine anion [CH3NH2]- (g) 83.9 69.0 ± 2.8 kJ/mol 31.05769 ± 0.00088 81096-79-9*0 Formyloxidanyl HC(O)O (g) -125.57 -126.93 ± 0.56 kJ/mol 45.0174 ± 0.0010 16499-21-1*0 Dioxiranyl HC(OO) (g) 216.2 212.8 ± 2.4 kJ/mol 45.0174 ± 0.0010 120595-16-6*0 Deuterium hydride cation [HD]+ (g) 1490.498 1490.587 ± 0.000 kJ/mol 3.021493 ± 0.000070 12181-16-7*0 Oxobromonium [BrO]+ (g) 1139.2 1131.4 ± 1.6 kJ/mol 95.9029 ± 0.0010 142315-39-7*0 2-Propanol CH3CH(OH)CH3 (cr,l) -305.60 -318.40 ± 0.32 kJ/mol 60.0950 ± 0.0025 67-63-0*500 1-Propanol CH3CH2CH2OH (cr,l) -290.56 -302.74 ± 0.24 kJ/mol 60.0950 ± 0.0025 71-23-8*500 Tetranitrogen cation [N4]+ (g) 1392.8 1392.5 ± 1.5 kJ/mol 56.02641 ± 0.00028 12185-04-5*0 Hydroxyoxoammoniumyl [HONO]+ (g) 984.1 977.6 ± 1.8 kJ/mol 47.01293 ± 0.00061 80371-48-8*0 Cyanogen bromide anion [BrCN]- (g) 58.2 54.6 ± 3.8 kJ/mol 105.9220 ± 0.0013 54092-05-6*0 Oxazirinyl cation [C(NO)]+ (g) 1565.4 1566.1 ± 2.3 kJ/mol 42.01629 ± 0.00086 *228850-18-8*0 Oxazirinyl anion [C(NO)]- (g) 448.0 448.8 ± 2.4 kJ/mol 42.01739 ± 0.00086 28269-68-3*0 Acetic acid CH3C(O)OH (g, syn-anti equilib) -418.51 -432.63 ± 0.52 kJ/mol 60.0520 ± 0.0017 64-19-7*0 Bromine dioxide OBrO (g) 167.1 157.5 ± 3.0 kJ/mol 111.9028 ± 0.0012 21255-83-4*0 Dinitrogen pentoxide O2NONO2 (cr,l) -41.06 ± 0.42 kJ/mol 108.0105 ± 0.0015 10102-03-1*500 Methoxycarbonyl C(O)OCH3 (g, anti-staggered) -150.1 -158.0 ± 2.1 kJ/mol 59.0440 ± 0.0017 16481-04-2*1 Dioxygen O2 (g, triplet) -0.000 -0.000 ± 0.000 kJ/mol 31.99880 ± 0.00060 7782-44-7*1 Diazenium [NH2NH]+ (g) 968.59 957.33 ± 0.77 kJ/mol 31.03675 ± 0.00025 37369-93-0*0 Oxalic acid (COOH)2 (g) -710.8 -721.4 ± 2.1 kJ/mol 90.0349 ± 0.0020 144-62-7*0 2-Chloro ozone anion [ClO(O)O]- (g) -103.4 -105.7 ± 3.2 kJ/mol 83.4514 ± 0.0013 *141801-67-4*0 Fluorine atom cation F+ (g) 1758.301 1760.599 ± 0.048 kJ/mol 18.99785462 ± 0.00000050 14701-13-4*0 Water H2O (l, eq.press.) -285.838 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*589 Methanol anion [CH3OH]- (g) -89.0 -99.7 ± 2.8 kJ/mol 32.04241 ± 0.00090 68474-04-4*0 Isocyanogen anion [CNCN]- (g, cis) 386.6 389.5 ± 3.0 kJ/mol 52.0354 ± 0.0016 *83951-85-3*2 Diisocyanogen cation [CNNC]+ (g, cis) 1835.1 1837.8 ± 3.5 kJ/mol 52.0343 ± 0.0016 *78800-21-2*2 Ethanium [C2H7]+ (g, classical Cs I) 888.8 870.3 ± 1.8 kJ/mol 31.0764 ± 0.0017 24669-33-8*2 Ethanium [C2H7]+ (g, classical Cs II) 895.2 877.3 ± 1.9 kJ/mol 31.0764 ± 0.0017 24669-33-8*3 Hydroperoxyimidogen HOON (g, trans) 103.3 99.7 ± 2.4 kJ/mol 47.01348 ± 0.00061 877456-58-1*1 Cyanoamidogen anion [HNCN]- (g) 72.0 69.0 ± 1.8 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) 578.8 579.5 ± 3.8 kJ/mol 40.02418 ± 0.00081 2468-81-7*0 Trichloromethylium [CCl3]+ (g) 854.24 852.72 ± 0.96 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 Ethylene anion [CH2CH2]- (g, syn ?) 231.6 225.5 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*2 Formaldehyde anion [CH2O]- (g) -26.7 -28.3 ± 2.0 kJ/mol 30.02653 ± 0.00087 27837-46-3*0 Hydrogen chloride HCl (aq, 150 H2O) -165.981 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*829 Formaldehyde CH2O (g, triplet) 196.044 192.713 ± 0.098 kJ/mol 30.02598 ± 0.00087 50-00-0*1 Bromine atom Br (g, 2P3/2) 117.917 111.855 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*1 Nitric acid cation [HNO3]+ (g) 1029.14 1020.08 ± 0.69 kJ/mol 63.01233 ± 0.00091 272109-63-4*0 Trichloroethene CHClCCl2 (l) -48.7 ± 1.6 kJ/mol 131.3874 ± 0.0031 79-01-6*590 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 Chloromethane cation [CH3Cl]+ (g) 1015.11 1008.34 ± 0.25 kJ/mol 50.4867 ± 0.0012 12538-71-5*0 1-Ethylium-1-yl [CH3CH]+ (g) 1182.1 1174.7 ± 3.2 kJ/mol 28.0526 ± 0.0016 85944-79-2*0 Ethylidene anion [CH3CH]- (g) 325.8 318.4 ± 1.9 kJ/mol 28.0537 ± 0.0016 35829-99-3*0 Fluorosyl fluoride cation [FFO]+ (g, quartet) 1413.0 1413.4 ± 3.5 kJ/mol 53.99566 ± 0.00030 *86825-50-5*1 Peroxyhypochlorite [ClOO]- (g) -249.23 -248.20 ± 0.37 kJ/mol 67.4520 ± 0.0011 224299-14-3*0 Methylaminilium [CH3NH]+ (g) 1134.8 1125.0 ± 2.1 kJ/mol 30.04865 ± 0.00085 49784-84-1*0 Fluorobromomethane CH2FBr (g) -198.0 -212.4 ± 5.5 kJ/mol 112.9290 ± 0.0013 373-52-4*0 Chloroniumyl ion [HCl]+ (g) 1137.797 1137.731 ± 0.0051 kJ/mol 36.46009 ± 0.00090 12258-94-5*0 Chlorine difluoride cation [ClFF]+ (g) 1346.3 1344.9 ± 2.1 kJ/mol 73.44896 ± 0.00090 86825-59-4*0 Fluorodibromomethane CHFBr2 (g) -160.0 -179.5 ± 5.5 kJ/mol 191.8250 ± 0.0022 1868-53-7*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 Chlorine difluoride anion [ClFF]- (g) -319.0 -319.1 ± 2.2 kJ/mol 73.45005 ± 0.00090 91419-41-9*0 Krypton cation Kr+ (g) 1350.756 1350.756 ± 0.000 kJ/mol 83.7995 ± 0.1000 16915-28-9*0 Difluoromethyliumyl [CF2]+ (g) 908.35 908.78 ± 0.91 kJ/mol 50.00696 ± 0.00080 54250-40-7*0 Hydrogen fluoride HF (aq, 23 H2O) -321.05 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*903 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 Ammonium radical NH4 (g) 190.01 179.43 ± 0.43 kJ/mol 18.03850 ± 0.00029 92075-50-8*0 Dibromine Br2 (aq) -2.16 ± 0.20 kJ/mol 159.8080 ± 0.0020 7726-95-6*800 Hydrogen fluoride HF (aq, 22.2 H2O) -321.04 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*888 Ozone cation [OOO]+ (g) 1352.870 1350.531 ± 0.041 kJ/mol 47.99765 ± 0.00090 12596-82-6*0 Hydrogen fluoride HF (aq, 37 H2O) -321.11 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*890 Hydrogen fluoride HF (aq, 55.51 H2O) -321.16 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*891 Hydrogen bromide HBr (aq, 2570 H2O) -120.46 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*952 Aminomethyliumyl [CHNH2]+ (g) 1039.5 1031.8 ± 2.3 kJ/mol 29.04071 ± 0.00083 89302-94-3*0 Difluorophosgene cation [COF2]+ (g) 653.41 650.78 ± 0.57 kJ/mol 66.00636 ± 0.00085 73256-56-1*0 Difluorophosgene anion [COF2]- (g) -603.6 -605.5 ± 3.4 kJ/mol 66.00745 ± 0.00085 474815-26-4*0 Carbon atom C (g, triplet) 711.407 716.892 ± 0.048 kJ/mol 12.01070 ± 0.00080 7440-44-0*1 Chlorohydroxymethylene ClCOH (g, trans) 13.9 11.0 ± 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 Chloryl ion [OClO]+ (g) 1100.15 1097.49 ± 0.52 kJ/mol 67.4510 ± 0.0011 25052-55-5*0 Dibromophosgene COBr2 (l) -144.18 ± 0.96 kJ/mol 187.8181 ± 0.0022 593-95-3*590 2-Chloroethanol ClCH2CH2OH (l) -315.10 ± 0.56 kJ/mol 80.5132 ± 0.0019 107-07-3*590 2-Bromoethanol BrCH2CH2OH (l) -274.83 ± 0.48 kJ/mol 124.9645 ± 0.0019 540-51-2*590 Hydrogen bromide HBr (aq, 3000 H2O) -120.47 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*842 Imidogen anion [NH]- (g) 322.62 322.67 ± 0.17 kJ/mol 15.015229 ± 0.000099 23841-33-0*0 Trioxidanyl HOOO (g, cis) 26.28 23.01 ± 0.19 kJ/mol 49.00614 ± 0.00090 12500-78-6*2 Hypofluorous acid cation [HOF]+ (g) 1141.99 1138.98 ± 0.87 kJ/mol 36.00519 ± 0.00031 90243-22-4*0 Phenylium [C6H5]+ (g, singlet) 1148.45 1135.67 ± 0.88 kJ/mol 77.1034 ± 0.0048 17333-73-2*2 Chlorosyl chloride anion [ClClO]- (g) -185.4 -184.7 ± 2.3 kJ/mol 86.9053 ± 0.0018 *86825-55-0*0 Carbon atom C (g, singlet) 833.338 838.485 ± 0.048 kJ/mol 12.01070 ± 0.00080 7440-44-0*2 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) 465.1 455.5 ± 1.3 kJ/mol 76.0965 ± 0.0048 219298-17-6*0 Chloryl chloride ClCl(O)O (g) 126.1 122.1 ± 1.7 kJ/mol 102.9042 ± 0.0019 117489-73-3*0 Benzylium [C6H5CH2]+ (g) 929.66 910.16 ± 0.63 kJ/mol 91.1299 ± 0.0056 6711-19-9*0 Hydrogen bromide HBr (aq, 2000 H2O) -120.42 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*841 Aminomethylene anion [CHNH2]- (g) 353.0 346.1 ± 2.3 kJ/mol 29.04181 ± 0.00083 207914-86-1*0 Phenyloxoniumylidene [C6H5O]+ (g) 902.9 888.6 ± 2.4 kJ/mol 93.1028 ± 0.0048 41071-17-4*0 Fluorosyl fluoride anion [FFO]- (g, quartet) -56.6 -56.1 ± 2.4 kJ/mol 53.99675 ± 0.00030 *86825-57-2*1 Hydrogen difluoride cation [FFH]+ (g, singlet) 1174.3 1171.3 ± 1.5 kJ/mol 39.004198 ± 0.000070 *126950-54-7*2 Ammonium chloride (NH4)Cl (cr) -311.728 -314.889 ± 0.063 kJ/mol 53.49120 ± 0.00095 12125-02-9*510 Acetylene anion [HCCH]- (g, cis ?) 380.1 380.3 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*2 Fluorobenzene C6H5F (cr,l) -151.82 -149.40 ± 0.89 kJ/mol 96.1023 ± 0.0048 462-06-6*500 Bromobenzene C6H5Br (cr,l) 59.9 ± 1.3 kJ/mol 157.0079 ± 0.0049 108-86-1*500 Ammonium bromide (NH4)Br (cr) -253.48 -270.05 ± 0.17 kJ/mol 97.9425 ± 0.0010 12124-97-9*510 Acetone CH3C(O)CH3 (cr,l) -244.51 -247.63 ± 0.32 kJ/mol 58.0791 ± 0.0025 67-64-1*500 Tribromine Br3 (g) 155.8 134.1 ± 3.2 kJ/mol 239.7120 ± 0.0030 11094-39-6*0 Propionaldehyde CH3CH2CHO (cr,l) -218.20 -216.75 ± 0.29 kJ/mol 58.0791 ± 0.0025 123-38-6*500 Triazirinylium ion [N(NN)]+ (g) 1608.8 1605.9 ± 1.6 kJ/mol 42.01967 ± 0.00021 92220-05-8*0 Monoammonium succinate (CH2COOH)2(NH3) (cr) -1068.01 ± 0.72 kJ/mol 135.1186 ± 0.0035 38457-08-8*510 Diammonium succinate (CH2COOH)2(NH3)2 (cr) -1182.56 ± 0.48 kJ/mol 152.1492 ± 0.0035 2226-88-2*510 Nitrosyl nitrate ONONO2 (g, t) 48.2 40.2 ± 1.8 kJ/mol 92.0111 ± 0.0012 15969-55-8*1 1-Methylethenylium [CH3CCH2]+ (g) 995.9 986.4 ± 2.7 kJ/mol 41.0713 ± 0.0024 50457-57-3*0 Isocyanic fluoride FNC (g) 301.3 303.1 ± 1.8 kJ/mol 45.01584 ± 0.00080 16992-26-0*0 Formic acid HC(O)OH (cr,l) -431.56 -424.73 ± 0.21 kJ/mol 46.0254 ± 0.0010 64-18-6*500 Bromoniumyl [HBr]+ (g) 1097.95 1090.10 ± 0.16 kJ/mol 80.9114 ± 0.0010 12258-64-9*0 1-Methylethenyl anion [CH3CCH2]- (g) 199.2 188.0 ± 2.8 kJ/mol 41.0723 ± 0.0024 65887-19-6*0 Hydrogen fluoride HF (aq, 400 H2O) -321.45 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*832 2-Propen-3-ylium-1-ylidyne [CHCHC]+ (g) 1791.2 1792.8 ± 2.6 kJ/mol 38.0474 ± 0.0024 161054-36-0*0 Propenediylidene anion [CHCHC]- (g) 588.8 590.1 ± 2.3 kJ/mol 38.0485 ± 0.0024 *161054-36-0*0 Hydroxyoxoammoniumyl [HONO]+ (g, trans) 984.1 977.6 ± 1.8 kJ/mol 47.01293 ± 0.00061 80371-48-8*1 Isocyanogen chloride ClNC (g) 314.6 316.2 ± 2.4 kJ/mol 61.4701 ± 0.0012 75754-69-7*0 (Z)-Diazene anion [HNNH]- (g, cis) 280.0 273.3 ± 2.0 kJ/mol 30.02991 ± 0.00020 *86631-37-0*0 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 Nitrous acid anion [HONO]- (g, cis) -107.0 -111.7 ± 2.4 kJ/mol 47.01403 ± 0.00061 256393-36-9*2 NON anion [NON]- (g) 495.3 492.8 ± 2.5 kJ/mol 44.01343 ± 0.00033 *227934-47-6*0 Peroxyhypochlorous acid anion [HOOCl]- (g, cis quartet) -32.2 -34.0 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*2 Iodine monochloride ICl (cr) -36.511 -35.537 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*510 Acetic acid CH3C(O)OH (g, anti) -397.4 -411.2 ± 1.2 kJ/mol 60.0520 ± 0.0017 64-19-7*2 Isocyanogen bromide BrNC (g) 341.5 335.8 ± 3.4 kJ/mol 105.9214 ± 0.0013 65997-98-0*0 Acetic acid CH3C(O)OH (aq, 1000 H2O) -484.93 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*839 Oxygen difluoride anion [FOF]- (g) -202.1 -201.9 ± 2.7 kJ/mol 53.99675 ± 0.00030 *7783-41-7*0 Trioxidanyl HOOO (g) 25.31 23.22 ± 0.13 kJ/mol 49.00614 ± 0.00090 12500-78-6*0 Methyl formate HC(O)OCH3 (l) -386.13 ± 0.59 kJ/mol 60.0520 ± 0.0017 107-31-3*500 Hydroxylamine NH2OH (aq, undissoc) -97.1 ± 2.2 kJ/mol 33.02996 ± 0.00037 7803-49-8*1000 Ethylene glycol (CH2OH)2 (cr,l) -448.71 -455.23 ± 0.38 kJ/mol 62.0678 ± 0.0018 107-21-1*500 Hydrogen chloride HCl (aq, 1000 H2O) -166.567 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*839 Isocyanogen iodide INC (g) 341.7 341.9 ± 4.9 kJ/mol 152.92191 ± 0.00080 66004-32-8*0 Oxalic acid (COOH)2 (cr) -819.30 ± 0.46 kJ/mol 90.0349 ± 0.0020 144-62-7*500 Isocyanogen iodide anion [INC]- (g) 123.0 125.1 ± 9.3 kJ/mol 152.92246 ± 0.00080 *66004-32-8*0 Dimethylamine (CH3)2NH (l) -43.71 ± 0.39 kJ/mol 45.0837 ± 0.0017 124-40-3*500 Nitrosyl nitrite anion [ONONO]- (g, t, t) -103.1 -106.2 ± 2.8 kJ/mol 76.01223 ± 0.00091 *122413-35-8*1 Dinitrogen dioxide ONNO (g, cis) 172.88 171.12 ± 0.14 kJ/mol 60.01228 ± 0.00062 16824-89-8*2 Trimethylamine (CH3)3N (l) -49.8 ± 1.0 kJ/mol 59.1103 ± 0.0025 75-50-3*500 Cyclobutane CH2(CH2CH2CH2) (l) 3.92 ± 0.41 kJ/mol 56.1063 ± 0.0032 287-23-0*590 Cyanogen cation [NCCN]+ (g) 1598.34 1600.57 ± 0.44 kJ/mol 52.0343 ± 0.0016 37354-81-7*0 Cyanogen anion [NCCN]- (g) 282.1 285.2 ± 3.3 kJ/mol 52.0354 ± 0.0016 11118-88-0*0 Isocyanogen cation [CNCN]+ (g) 1652.9 1654.2 ± 1.8 kJ/mol 52.0343 ± 0.0016 133415-63-1*0 Methylcyclopropane CH3CH(CH2CH2) (l) 1.80 ± 0.59 kJ/mol 56.1063 ± 0.0032 594-11-6*590 Methanol CH3OH (l) -235.20 -238.53 ± 0.15 kJ/mol 32.04186 ± 0.00090 67-56-1*500 Diisocyanogen anion [CNNC]- (g) 456.8 463.7 ± 5.7 kJ/mol 52.0354 ± 0.0016 *78800-22-3*0 Diazoethenylidene cation [NNCC]+ (g) 1777.1 1779.1 ± 6.1 kJ/mol 52.0343 ± 0.0016 *130760-10-0*0 Diazoethenylidene anion [NNCC]- (g) 536.0 538.6 ± 5.8 kJ/mol 52.0354 ± 0.0016 *130760-11-1*0 3H-diazirin-3-ylidene-methylene CC(NN) (g) 833.7 836.1 ± 3.6 kJ/mol 52.0349 ± 0.0016 204253-88-3*0 Isocyanomethyliumylidene [CNC]+ (g) 1612.6 1618.1 ± 6.2 kJ/mol 38.0276 ± 0.0016 78271-45-1*0 Isocyanomethylidyne anion [CNC]- (g) 478.6 482.3 ± 5.9 kJ/mol 38.0287 ± 0.0016 *53590-27-5*0 Methylamine CH3NH2 (l) -47.01 ± 0.36 kJ/mol 31.05714 ± 0.00088 74-89-5*500 Cyanomethyliumylidene [CCN]+ (g) 1711.1 1716.5 ± 6.0 kJ/mol 38.0276 ± 0.0016 76619-90-4*0 Cyanomethylidyne anion [CCN]- (g) 406.7 410.3 ± 5.7 kJ/mol 38.0287 ± 0.0016 12373-35-2*0 2,3-didehydro-1H-azirin-1-yl N(CC) (g) 722.2 726.2 ± 4.9 kJ/mol 38.0281 ± 0.0016 439586-06-8*0 Cyanoaminyliumyl [NCN]+ (g) 1671.9 1673.3 ± 2.9 kJ/mol 40.02363 ± 0.00081 316122-03-9*0 Cyanoamidogen anion [NCN]- (g) 210.89 210.90 ± 0.81 kJ/mol 40.02473 ± 0.00081 189879-95-6*0 Cyanamide H2NCN (cr) 58.89 ± 0.54 kJ/mol 42.04006 ± 0.00082 420-04-2*500 Diazomethyliumyl [CNN]+ (g) 1641.8 1643.6 ± 4.3 kJ/mol 40.02363 ± 0.00081 307495-90-5*0 Diazomethylene anion [CNN]- (g) 407.9 408.0 ± 3.9 kJ/mol 40.02473 ± 0.00081 205498-92-6*0 Deuterium hydride HD (g) 0.328 0.319 ± 0.000 kJ/mol 3.022042 ± 0.000070 13983-20-5*0 Methanol dimer (CH3OH)2 (g) -398.3 -419.0 ± 1.4 kJ/mol 64.0837 ± 0.0018 42845-44-3*0 Isodiazene anion [NNH2]- (g) 380.9 374.0 ± 2.1 kJ/mol 30.02991 ± 0.00020 *63986-30-1*0 1-Ethenylium-1-yl [CCH2]+ (g) 1507.1 1507.1 ± 2.1 kJ/mol 26.0367 ± 0.0016 80541-07-7*0 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 Dioxiranylidene cation [C(OO)]+ (g) 1409.1 1410.3 ± 2.6 kJ/mol 44.00895 ± 0.00100 *138832-57-2*0 Trifluorine F3 (g) 80.6 81.9 ± 2.6 kJ/mol 56.9952096 ± 0.0000015 73455-86-4*0 Chlorine chlorite ClOClO (g, cis) 177.4 175.0 ± 2.2 kJ/mol 102.9042 ± 0.0019 105206-44-8*2 Cyclopropyl anion [CH(CH2CH2)]- (g) 263.5 250.8 ± 2.5 kJ/mol 41.0723 ± 0.0024 1724-45-4*0 Dioxiranylidene anion [C(OO)]- (g, ?) -110.2 -109.7 ± 3.0 kJ/mol 44.01005 ± 0.00100 *138832-58-3*0 Carbon monoxide CO (g, triplet) 465.581 469.288 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*1 Trihydrogen H(HH) (g, 2p 2A2" Ry) 756.931 754.146 ± 0.015 kJ/mol 3.02382 ± 0.00021 12184-91-7*2 Hydrogen fluoride HF (aq, 18.5 H2O) -321.02 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*887 Hydrogen chloride HCl (aq, 3000 H2O) -166.743 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*842 1,1,1-Trichloroethane CH3CCl3 (l) -177.63 ± 0.52 kJ/mol 133.4033 ± 0.0031 71-55-6*500 Trioxidane HOOOH (g) -81.71 -90.31 ± 0.72 kJ/mol 50.01408 ± 0.00091 14699-99-1*0 Nitrogen sesquioxide cation [ONNO2]+ (g, vdW) 1027.7 1023.8 ± 3.4 kJ/mol 76.01113 ± 0.00091 *10544-73-7*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 Paraformaldehyde CH2O (cr, paraformaldehyde) -179.2 ± 1.6 kJ/mol 30.02598 ± 0.00087 30525-89-4*500 1,1-Dichloroethene CH2CCl2 (l) -23.82 ± 0.51 kJ/mol 96.9427 ± 0.0024 75-35-4*500 Isoprene CH2C(CH3)CHCH2 (cr,l) 48.67 ± 0.73 kJ/mol 68.1170 ± 0.0040 78-79-5*500 n-Hexane CH3CH2CH2CH2CH2CH3 (cr,l) -180.03 -198.69 ± 0.34 kJ/mol 86.1754 ± 0.0049 110-54-3*500 Oxadiazirine [O(NN)]+ (g) 1509.9 1507.4 ± 2.4 kJ/mol 44.01233 ± 0.00033 *227934-45-4*0 Cyclohexane CH2(CH2CH2CH2CH2CH2) (l) -156.33 ± 0.36 kJ/mol 84.1595 ± 0.0049 110-82-7*500 Nitrato [NO3]+ (g) 1290.55 1285.84 ± 0.86 kJ/mol 62.00439 ± 0.00090 133057-96-2*0 Dihydrogen fluoride (HF)(H) (g) -56.5 -54.2 ± 1.7 kJ/mol 21.01428 ± 0.00014 12592-22-2*2 Dichloromethane CH2Cl2 (l) -123.42 ± 0.50 kJ/mol 84.9320 ± 0.0020 75-09-2*590 n-Heptane CH3(CH2)5CH3 (cr,l) -201.78 -224.23 ± 0.48 kJ/mol 100.2019 ± 0.0057 142-82-5*500 Oxygen difluoride cation [FOF]+ (g) 1292.10 1289.58 ± 0.66 kJ/mol 53.99566 ± 0.00030 39432-25-2*0 n-Octane CH3(CH2)6CH3 (cr,l) -226.70 -249.82 ± 0.67 kJ/mol 114.2285 ± 0.0065 111-65-9*500 Nitric acid HNO3 (aq, 1 H2O) -186.85 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*801 1,5-Hexadiene CH2CHCH2CH2CHCH2 (cr,l) 54.39 ± 0.32 kJ/mol 82.1436 ± 0.0049 592-42-7*500 1-Propynylium [CH3CC]+ (g) 1547.1 1545.1 ± 3.1 kJ/mol 39.0554 ± 0.0024 24858-94-4*0 Hydrogen peroxide H2O2 (cr,l) -193.185 -187.368 ± 0.079 kJ/mol 34.01468 ± 0.00062 7722-84-1*500 1,2-Propadien-1-ylium-1-yl-3-ylidene [CCC]+ (g, lin) 1982.1 1991.2 ± 2.2 kJ/mol 36.0316 ± 0.0024 118090-85-0*1 Trioxirane O(OO) (g) 272.9 270.3 ± 1.3 kJ/mol 47.99820 ± 0.00090 153851-84-4*0 Ammonia anion [NH3]- (g) 94.3 87.3 ± 2.4 kJ/mol 17.03111 ± 0.00022 37353-00-7*0 Difluoromethylene anion [CF2]- (g) -211.21 -209.99 ± 0.60 kJ/mol 50.00805 ± 0.00080 66212-40-6*0 Nitric acid HNO3 (aq, 3 H2O) -197.76 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*805 Nitrosyl nitrite ONONO (g, c, p) 125.7 120.4 ± 2.1 kJ/mol 76.01168 ± 0.00091 122413-35-8*3 Fluoromethylidyne anion [CF]- (g) 200.8 204.3 ± 1.9 kJ/mol 31.00965 ± 0.00080 33412-12-3*0 Hydrochlorate ion [HCl]- (g) -25.2 -24.2 ± 2.5 kJ/mol 36.46119 ± 0.00090 63099-75-2*0 Cycloprop-1-enylium [CH2(CHC)]+ (g) 1502.3 1498.1 ± 2.2 kJ/mol 39.0554 ± 0.0024 117067-78-4*0 Cycloprop-1-enyl anion [CH2(CHC)]- (g) 373.5 369.0 ± 2.2 kJ/mol 39.0565 ± 0.0024 80251-77-0*0 Oxygen atom hexacation [O]+6 (g) 42035.28 42037.14 ± 0.12 kJ/mol 15.99611 ± 0.00030 14158-22-6*0 Nitric acid trihydrate HNO3(H2O)3 (cr,l) -1062.12 -1055.27 ± 0.21 kJ/mol 117.0587 ± 0.0019 13444-83-2*500 1,2-Difluoroacetylene cation [FCCF]+ (g) 1081.2 1084.3 ± 1.5 kJ/mol 62.0177 ± 0.0016 268566-70-7*0 Dioxymethylidyne cation [COO]+ (g, doublet) 1436.6 1439.1 ± 2.7 kJ/mol 44.00895 ± 0.00100 *791121-04-5*2 Propane cation [CH3CH2CH3]+ (g) 974.6 954.7 ± 1.7 kJ/mol 44.0951 ± 0.0025 34479-70-4*0 Azide ion [NNN]- (aq) 272.61 ± 0.48 kJ/mol 42.02077 ± 0.00021 14343-69-2*800 Dihydrogen cation [H2]+ (g, ortho) 1489.060 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*1 Nitric acid monohydrate HNO3(H2O) (cr,l) -479.18 -472.68 ± 0.19 kJ/mol 81.0282 ± 0.0012 13444-82-1*500 Carbon dioxide anion [CO2]- (g) -340.6 -340.1 ± 2.2 kJ/mol 44.01005 ± 0.00100 14485-07-5*0 NON cation [NON]+ (g) 1443.9 1444.1 ± 2.8 kJ/mol 44.01233 ± 0.00033 *227934-46-5*0 Peroxyhypochlorous acid cation [HOOCl]+ (g, trans) 1030.3 1024.5 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*1 Chloro(chlorooxy)methylene ClCOCl (g, cis) 73.5 73.7 ± 3.6 kJ/mol 98.9155 ± 0.0020 479587-31-0*2 Hydrogen difluoride cation [(HF)(F)]+ (g, triplet) 1267.6 1265.4 ± 4.1 kJ/mol 39.004198 ± 0.000070 *126950-54-7*1 Cycloprop-2-enyl anion [CH(CHCH)]- (g) 514.8 511.8 ± 2.2 kJ/mol 39.0565 ± 0.0024 20829-57-6*0 Chlorooxomethylium [ClCO]+ (g) 783.7 783.9 ± 2.2 kJ/mol 63.4623 ± 0.0012 38264-03-8*0 Hydrogen difluoride cation [FHF]+ (g, triplet ?) 1241. 1238. ± 17. kJ/mol 39.004198 ± 0.000070 126950-54-7*1 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 2-Iodoethanol ICH2CH2OH (l) -207.3 ± 2.4 kJ/mol 171.9650 ± 0.0017 624-76-0*590 Dioxymethylidyne cation [(C)(OO)]+ (g, vdW quartet) 1388.2 1391.7 ± 3.2 kJ/mol 44.00895 ± 0.00100 *791121-04-5*101 1,3-Butadiyne cation [HCCCCH]+ (g) 1440.20 1442.07 ± 0.86 kJ/mol 50.0581 ± 0.0032 55468-55-8*0 Tricarbon dioxide cation [OCCCO]+ (g) 928.4 931.9 ± 1.4 kJ/mol 68.0304 ± 0.0025 151528-67-5*0 Tricarbon dioxide anion [OCCCO]- (g) -134.0 -130.3 ± 3.2 kJ/mol 68.0314 ± 0.0025 109362-94-9*0 Benzene anion [C6H6]- (g) 209.0 197.1 ± 1.2 kJ/mol 78.1124 ± 0.0048 34562-85-1*0 Peroxychlorous acid HOOClO (g, anti) 103.5 97.7 ± 2.5 kJ/mol 84.4588 ± 0.0013 177778-92-6*2 Tetrazete N(NNN) (g, D2h) 764.9 759.0 ± 1.8 kJ/mol 56.02696 ± 0.00028 42851-09-2*0 Hydraziniumyl [NH2NH2]+ (g) 886.6 873.2 ± 2.0 kJ/mol 32.04469 ± 0.00031 20771-51-1*0 Difluorodioxidanium [FOOF]+ (g, trans) 1283.6 1279.1 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*1 o-Benzyne C6H4 (g, triplet) 625.6 616.3 ± 1.1 kJ/mol 76.0960 ± 0.0048 462-80-6*1 Chlorodioxidenium [ClOO]+ (g) 1202.7 1200.4 ± 3.4 kJ/mol 67.4510 ± 0.0011 64710-10-7*0 Hydrazine NH2NH2 (cr,l) 57.23 50.67 ± 0.18 kJ/mol 32.04524 ± 0.00031 302-01-2*500 Tetraoxodinitrogen cation [O2NNO2]+ (g) 1030.6 1025.1 ± 2.6 kJ/mol 92.0105 ± 0.0012 64476-91-1*0 m-Benzyne C6H4 (g) 527.0 518.5 ± 1.2 kJ/mol 76.0960 ± 0.0048 1828-89-3*0 Hydrogen chloride HCl (aq, 200 H2O) -166.107 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*830 p-Benzyne cation [C6H4]+ (g) 1425.8 1418.5 ± 2.1 kJ/mol 76.0954 ± 0.0048 121058-09-1*0 p-Benzyne C6H4 (g) 587.1 577.6 ± 1.2 kJ/mol 76.0960 ± 0.0048 3355-34-8*0 Toluene C6H5CH3 (l) 19.87 12.11 ± 0.34 kJ/mol 92.1384 ± 0.0056 108-88-3*500 Hydronium radical (H2O)(H) (g, vdW) -18.5 -21.6 ± 2.1 kJ/mol 19.02322 ± 0.00037 12168-76-2*100 Ethylbenzene C6H5CH2CH3 (cr,l) -12.55 ± 0.55 kJ/mol 106.1650 ± 0.0064 100-41-4*500 Phenylethene C6H5CHCH2 (cr,l) 104.29 ± 0.48 kJ/mol 104.1491 ± 0.0064 100-42-5*500 Hydrogen bromide HBr (aq, 1000 H2O) -120.32 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*839 Phenylacetylene C6H5CCH (cr,l) 273.4 ± 1.1 kJ/mol 102.1332 ± 0.0064 536-74-3*500 Phenol C6H5OH (cr,l) -146.32 -162.17 ± 0.68 kJ/mol 94.1112 ± 0.0048 108-95-2*500 Cyclopropenylidene anion [C(CHCH)]- (g) 544.3 543.8 ± 2.2 kJ/mol 38.0485 ± 0.0024 *16165-40-5*0 Benzaldehyde C6H5C(O)H (cr,l) -85.7 -86.7 ± 1.1 kJ/mol 106.1219 ± 0.0056 100-52-7*500 Carbide [C2]- (g) 504.86 511.43 ± 0.52 kJ/mol 24.0219 ± 0.0016 12595-78-7*0 Fluorobenzene anion [C6H5F]- (g) -18.3 -30.2 ± 1.8 kJ/mol 96.1029 ± 0.0048 34561-55-2*0 Peroxynitrous acid HOONO (g) -6.10 -12.73 ± 0.36 kJ/mol 63.01288 ± 0.00091 14691-52-2*0 Tetraazatetrahedrane N4 (g, Td) 763.7 757.2 ± 1.7 kJ/mol 56.02696 ± 0.00028 12596-63-3*0 Bromosyl bromide BrBrO (g) 178.6 162.8 ± 2.1 kJ/mol 175.8074 ± 0.0020 68322-97-4*0 Iodobenzene cation [C6H5I]+ (g) 1022.7 1007.2 ± 1.0 kJ/mol 204.0078 ± 0.0048 38406-85-8*0 Dioxygen difluoride OOF2 (g) 75.1 71.6 ± 3.6 kJ/mol 69.99561 ± 0.00060 183051-89-0*0 Hydrazoic acid cation [HNNN]+ (g) 1333.65 1327.98 ± 0.83 kJ/mol 43.02761 ± 0.00022 58852-14-5*0 Nitrobenzene C6H5N(O)O (cr,l) 6.4 ± 1.4 kJ/mol 123.1094 ± 0.0049 98-95-3*500 Perchloryl cation [OCl(O)O]+ (g) 1252.0 1246.3 ± 2.5 kJ/mol 83.4504 ± 0.0013 23594-88-9*0 Hydrazoic acid anion [HNNN]- (g, trans) 309.0 302.7 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*1 Nitromethane CH3N(O)O (cr,l) -114.19 -113.00 ± 0.43 kJ/mol 61.0401 ± 0.0010 75-52-5*500 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 Trifluoroethylene C2HF3 (g) -482.7 -487.7 ± 8.4 kJ/mol 82.0245 ± 0.0016 359-11-5*0 Norbornadiene (CHCH)CHCH2CH(CHCH) (g) 237.9 212.5 ± 1.2 kJ/mol 92.1384 ± 0.0056 121-46-0*0 Norbornadiene (CHCH)CHCH2CH(CHCH) (l) 179.1 ± 1.1 kJ/mol 92.1384 ± 0.0056 121-46-0*500 2,3-Butanedione (CH3CO)2 (cr,l) -365.54 ± 0.54 kJ/mol 86.0892 ± 0.0033 431-03-8*500 2,3-Butanedione (CH3CO)2 (g) -310.19 -326.75 ± 0.70 kJ/mol 86.0892 ± 0.0033 431-03-8*0 Succinic acid (CH2COOH)2 (cr,l) -918.57 -940.30 ± 0.13 kJ/mol 118.0880 ± 0.0034 110-15-6*500 1,2-Diiodoethane (CIH2)2 (g) 87.78 73.12 ± 0.90 kJ/mol 281.8621 ± 0.0016 624-73-7*0 1,2-Diiodoethane (CIH2)2 (cr,l) 9.25 ± 0.60 kJ/mol 281.8621 ± 0.0016 624-73-7*500 1,1-Dibromoethane CHBr2CH3 (g) -9.2 -36.3 ± 7.8 kJ/mol 187.8612 ± 0.0026 557-91-5*0 Dihydrogen H2 (g, ortho) 1.417 0.019 ± 0.000 kJ/mol 2.01588 ± 0.00014 1333-74-0*1 Xenon hydride cation [XeH]+ (g) 1038.15 1036.37 ± 0.89 kJ/mol 132.2974 ± 0.0200 37276-91-8*0 Nitrosyl nitrate ONONO2 (g, cis-perp) 60.5 52.5 ± 2.0 kJ/mol 92.0111 ± 0.0012 15969-55-8*2 Hydroxylamine NH2OH (g) -33.24 -43.61 ± 0.50 kJ/mol 33.02996 ± 0.00037 7803-49-8*0 Carbon monoxide CO (g, singlet) -113.802 -110.522 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*2 Dioxofluorine cation [OFO]+ (g) 1667.0 1664.8 ± 2.8 kJ/mol 50.99665 ± 0.00060 223566-05-0*0 Hydroxyoxoammoniumyl [HONO]+ (g, cis) 1014.7 1008.4 ± 2.0 kJ/mol 47.01293 ± 0.00061 80371-48-8*2 Nitrous acid anion [HONO]- (g, trans) -106.3 -110.2 ± 2.5 kJ/mol 47.01403 ± 0.00061 256393-36-9*1 Water trimer (H2O)3 (g) -762.75 -776.85 ± 0.21 kJ/mol 54.04584 ± 0.00099 31014-12-7*0 Methylene CH2 (g) 391.03 391.59 ± 0.12 kJ/mol 14.02658 ± 0.00081 2465-56-7*0 Hydrazoic acid HNNN (aq) 272.61 ± 0.48 kJ/mol 43.02816 ± 0.00022 7782-79-8*800 mu-Oxodichlorine cation [ClOCl]+ (g) 1130.44 1126.83 ± 0.63 kJ/mol 86.9043 ± 0.0018 51174-96-0*0 Nitrogen atom N (g, quartet) 470.579 472.441 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*1 mu-Oxodichlorate anion [ClOCl]- (g) -147.8 -147.7 ± 2.5 kJ/mol 86.9053 ± 0.0018 365546-30-1*0 Polyoxymethylene CH2O (cr, polyoxymethylene) -170.89 ± 0.21 kJ/mol 30.02598 ± 0.00087 9002-81-7*500 Trihydrogen cation [H3]+ (g, para) 1110.304 1106.697 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*2 Dioxaziridine HN(OO) (g) 277.2 270.5 ± 2.0 kJ/mol 47.01348 ± 0.00061 67394-35-8*0 Propylene cation [CH3CHCH2]+ (g) 975.07 962.11 ± 0.35 kJ/mol 42.0792 ± 0.0024 34504-10-4*0 Cyclopentadiene CH2(CHCHCHCH) (l) 108.73 ± 0.61 kJ/mol 66.1011 ± 0.0040 542-92-7*590 Hydrogen iodide HI (aq) -56.824 ± 0.089 kJ/mol 127.912410 ± 0.000076 10034-85-2*800 Formaldehyde CH2O (aq) -171.16 ± 0.59 kJ/mol 30.02598 ± 0.00087 50-00-0*800 Ethynylene C2 (g, singlet) 820.28 826.85 ± 0.27 kJ/mol 24.0214 ± 0.0016 12070-15-4*2 Dihydrogen anion [H2]- (g) 253.8 254.7 ± 1.2 kJ/mol 2.01643 ± 0.00014 12184-89-3*0 Tetrabromomethane CBr4 (cr, monoclinic) 49.0 ± 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 Methyl bromide CH3Br (l) -55.90 -58.92 ± 0.28 kJ/mol 94.9385 ± 0.0013 74-83-9*590 Tetroxidane HOOOOH (g) -33.8 -44.3 ± 2.4 kJ/mol 66.0135 ± 0.0012 29683-94-1*0 Dihydrogen cation [H2]+ (g, para) 1488.364 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*2 Hydrogen peroxide H2O2 (g, para) -129.492 -135.478 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*2 Acetic acid CH3C(O)OH (aq, 500 H2O) -484.91 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*833 Trioxirane cation [O(OO)]+ (g) 1444.6 1442.4 ± 2.2 kJ/mol 47.99765 ± 0.00090 *153851-84-4*0 Acetic acid CH3C(O)OH (aq, 10000 H2O) -484.96 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*850 Isocyanogen bromide anion [BrNC]- (g) 105.4 102.2 ± 4.6 kJ/mol 105.9220 ± 0.0013 *238754-53-5*0 Dioxofluorine anion [OFO]- (g) 155.9 154.3 ± 2.5 kJ/mol 50.99775 ± 0.00060 *175861-93-5*0 Peroxyhypochlorous acid cation [HOOCl]+ (g, cis) 1050.8 1045.1 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*2 1,2-Propadien-1-ylium-1-yl-3-ylidene [CCC]+ (g) 1947.0 1954.9 ± 2.0 kJ/mol 36.0316 ± 0.0024 118090-85-0*0 Fluorine atom F (g, 2P3/2) 77.253 79.038 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*1 1-Hydroxyethyl CH3CHOH (g) -42.00 -55.43 ± 0.65 kJ/mol 45.0605 ± 0.0017 2348-46-1*0 Hydroxylamine NH2OH (cr,l) -107.62 ± 0.66 kJ/mol 33.02996 ± 0.00037 7803-49-8*500 Methyl formate HC(O)OCH3 (g) -344.73 -357.78 ± 0.59 kJ/mol 60.0520 ± 0.0017 107-31-3*0 Oxygen atom pentacation [O]+5 (g) 28708.788 28710.646 ± 0.053 kJ/mol 15.99666 ± 0.00030 14127-66-3*0 Deuteride D- (g) 146.991 148.904 ± 0.0021 kJ/mol 2.01465035791 ± 0.00000000040 14452-69-8*0 Hydrogen peroxide cation [H2O2]+ (g, cis, para) 930.4 923.6 ± 1.0 kJ/mol 34.01413 ± 0.00062 12325-10-9*22 Hydroxymethylene HCOH (g) 112.70 108.94 ± 0.28 kJ/mol 30.02598 ± 0.00087 19710-56-6*0 Chlorine atom Cl (g, 2P3/2) 119.621 121.228 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*1 Ethyl bromide CH3CH2Br (l) -55.52 -91.05 ± 0.27 kJ/mol 108.9651 ± 0.0019 74-96-4*500 Oxonium [H3O]+ (g, para) 605.84 599.09 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*2 Vinyl iodide CH2CHI (g) 139.7 130.8 ± 1.2 kJ/mol 153.9497 ± 0.0016 593-66-8*0 Trihydrogen (H)(HH) (g, vdW) 215.9 218.3 ± 1.1 kJ/mol 3.02382 ± 0.00021 12184-91-7*100 Peroxyhypochlorous acid anion [HOOCl]- (g, trans quartet) -2.9 -3.3 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*1 Hydrogen peroxide cation [H2O2]+ (g, trans, ortho) 896.57 889.59 ± 0.58 kJ/mol 34.01413 ± 0.00062 12325-10-9*11 Tribromide [Br3]- (aq) -129.29 ± 0.26 kJ/mol 239.7125 ± 0.0030 14522-80-6*800 Chlorine trifluoride cation [FCl(F)F]+ (g) 1053.4 1049.1 ± 2.5 kJ/mol 92.44736 ± 0.00090 478167-77-0*0 Oxygen atom octacation [O]+8 (g) 197447.75 197449.60 ± 0.12 kJ/mol 15.99501 ± 0.00030 21450-98-6*0 2-Chloro ozone ClO(O)O (g) 265.8 265.3 ± 3.7 kJ/mol 83.4509 ± 0.0013 *141801-66-3*0 Hydrazoic acid HNNN (aq, undissoc) 257.62 ± 0.48 kJ/mol 43.02816 ± 0.00022 7782-79-8*1000 Oxygen atom heptacation [O]+7 (g) 113369.48 113371.34 ± 0.12 kJ/mol 15.99556 ± 0.00030 14274-89-6*0 Acetaldehyde CH3CHO (cr,l) -186.94 -191.66 ± 0.33 kJ/mol 44.0526 ± 0.0017 75-07-0*500 Tetraoxodinitrate anion [O2NNO2]- (g) -184.6 -187.8 ± 2.4 kJ/mol 92.0116 ± 0.0012 63552-02-3*0 Tricarbon dioxide OCCCO (cr,l) -131.6 -116.5 ± 1.4 kJ/mol 68.0309 ± 0.0025 504-64-3*500 Oxygen atom tetracation [O]+4 (g) 17719.207 17721.064 ± 0.025 kJ/mol 15.99721 ± 0.00030 14127-65-2*0 Cyclopropane cation [CH2(CH2CH2)]+ (g) 1022.3 1006.9 ± 1.8 kJ/mol 42.0792 ± 0.0024 34496-93-0*0 Iodine atom I (g, 2P1/2) 198.109 197.709 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*2 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 m-Benzyne C6H4 (g, triplet) 614.6 605.2 ± 1.4 kJ/mol 76.0960 ± 0.0048 1828-89-3*1 Bromodioxy BrOO (g) 118.2 109.1 ± 4.3 kJ/mol 111.9028 ± 0.0012 67177-47-3*0 Hydrogen fluoride HF (aq, 45 H2O) -321.13 ± 0.16 kJ/mol 20.006343 ± 0.000070 7664-39-3*906 Difluorodioxidanium [FOOF]+ (g, cis) 1287.2 1283.0 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*2 Iodine monochloride ICl (l) -24.048 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*590 Oxoniumyl ion [H2O]+ (g, ortho) 978.464 975.561 ± 0.029 kJ/mol 18.01473 ± 0.00033 56583-62-1*1 Dinitrogen dimer (N2)2 (g) -0.88 0.84 ± 0.67 kJ/mol 56.02696 ± 0.00028 *7727-37-9*0 Oxygen atom trication [O]+3 (g) 10249.929 10252.880 ± 0.018 kJ/mol 15.99775 ± 0.00030 14127-64-1*0 Trihydrogen H(HH) (g, 2s 2A1' Ry) 745.878 743.094 ± 0.062 kJ/mol 3.02382 ± 0.00021 12184-91-7*1 Diatomic bromine cation [Br2]+ (g) 1060.32 1045.37 ± 0.23 kJ/mol 159.8075 ± 0.0020 12595-71-0*0 Ammonium hydroxide NH4OH (aq, undissoc) -366.726 ± 0.062 kJ/mol 35.04584 ± 0.00047 1336-21-6*1000 1,3-Butadiynyl anion [CCCC]- (g) 677.7 686.8 ± 1.2 kJ/mol 48.0433 ± 0.0032 59158-53-1*0 Difluorine cation [F2]+ (g) 1514.301 1514.475 ± 0.013 kJ/mol 37.9962578 ± 0.0000010 12184-86-0*0 Hydrazine monohydrate (NH2NH2)(H2O) (l) -242.68 ± 0.19 kJ/mol 50.06052 ± 0.00053 7803-57-8*500 Dihydrogen H2 (g, para) -0.000 -0.058 ± 0.000 kJ/mol 2.01588 ± 0.00014 1333-74-0*2 Nitrosyl nitrite anion [ONONO]- (g, t, c) -100.3 -103.5 ± 2.9 kJ/mol 76.01223 ± 0.00091 *122413-35-8*2 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g, anti) 49.5 42.6 ± 2.5 kJ/mol 84.4588 ± 0.0013 928652-99-7*2 Methylaminyliumyl [CH3N]+ (g, doublet ?) 1388.3 1382.0 ± 2.6 kJ/mol 29.04071 ± 0.00083 56924-51-7*1 Acetylene anion [HCCH]- (g) 356.9 356.7 ± 1.9 kJ/mol 26.0378 ± 0.0016 50443-89-5*0 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 3H-Diazirin-3-ylidene C(NN) (g) 578.0 578.4 ± 4.0 kJ/mol 40.02418 ± 0.00081 253308-70-2*0 Water H2O (cr) -286.308 -292.749 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*510 Tribromine cation [Br3]+ (g) 1035.9 1013.2 ± 2.6 kJ/mol 239.7115 ± 0.0030 33105-86-1*0 Trioxygen difluoride FOOOF (g) 112.5 107.3 ± 1.2 kJ/mol 85.99501 ± 0.00090 16829-28-0*0 Hydrazoic acid anion [HNNN]- (g, cis) 316.2 310.0 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*2 Water H2O (g, para) -238.938 -241.842 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*2 (Z)-1,2-Diiodoethene C2H2I2 (g) 215.71 207.43 ± 0.44 kJ/mol 279.8462 ± 0.0016 590-26-1*0 (E)-1,2-Diiodoethene C2H2I2 (g) 214.82 207.43 ± 0.44 kJ/mol 279.8462 ± 0.0016 590-27-2*0 Fluorosyl fluoride FFO (g, singlet) 227. 225. ± 21. kJ/mol 53.99621 ± 0.00030 86825-57-2*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 1,2-Dibromoethane (CBrH2)2 (cr,l) -79.5 ± 1.3 kJ/mol 187.8612 ± 0.0026 106-93-4*500 Oxygen atom dication [O]+2 (g) 4949.459 4953.000 ± 0.013 kJ/mol 15.99830 ± 0.00030 14127-63-0*0 Deuterium molecule cation [D2]+ (g) 1492.286 1492.361 ± 0.000 kJ/mol 4.02765497609 ± 0.00000000080 12184-84-8*0 Hydroxymethylene cation [HCOH]+ (g) 971.9 968.3 ± 1.4 kJ/mol 30.02543 ± 0.00087 135395-06-1*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 Water dimer cation [(H2O)2]+ (g) 556.8 546.3 ± 3.0 kJ/mol 36.03001 ± 0.00066 158061-35-9*0 Hydroxymethylene anion [HCOH]- (g) 147.2 144.2 ± 1.6 kJ/mol 30.02653 ± 0.00087 207914-87-2*0 Diazene cation [HNNH]+ (g, trans-cis equilib) 1132.46 1125.53 ± 0.66 kJ/mol 30.02881 ± 0.00020 76986-17-9*1 Cyanogen iodide cation [ICN]+ (g) 1271.3 1271.2 ± 1.6 kJ/mol 152.92136 ± 0.00080 34749-78-5*0 Peroxychlorous acid HOOClO (g) 96.2 90.6 ± 2.1 kJ/mol 84.4588 ± 0.0013 177778-92-6*0 Oxirene O(CHCH) (g) 272.85 272.15 ± 0.98 kJ/mol 42.0367 ± 0.0016 157-18-6*0 Nitrogen atom anion N- (g) 487.6 489.9 ± 2.5 kJ/mol 14.007289 ± 0.000070 17778-87-9*0 Chlorine chlorite ClOClO (g) 168.6 166.4 ± 1.3 kJ/mol 102.9042 ± 0.0019 105206-44-8*0 Hydrogen cyanide anion [HCN]- (g) 129.516 129.038 ± 0.091 kJ/mol 27.02593 ± 0.00081 12334-27-9*0 2-Hydroxyethylium [CH2CH2OH]+ (g) 1019.2 1007.0 ± 1.7 kJ/mol 45.0600 ± 0.0017 38607-31-7*0 Dinitrogen dioxide ONNO (g, trans) 192.2 188.6 ± 1.8 kJ/mol 60.01228 ± 0.00062 16824-89-8*1 Water anion [H2O]- (g) -50.1 -53.0 ± 4.3 kJ/mol 18.01583 ± 0.00033 12259-30-2*0 Chlorohydroxymethyl CH(Cl)OH (g) -54.7 -60.4 ± 1.1 kJ/mol 65.4787 ± 0.0012 147139-06-8*0 Hydrazoic acid HNNN (cr,l) 261.48 ± 0.65 kJ/mol 43.02816 ± 0.00022 7782-79-8*500 Isocyanic fluoride cation [FNC]+ (g) 1618.4 1619.0 ± 4.0 kJ/mol 45.01529 ± 0.00080 *16992-26-0*0 Methane anion [CH4]- (g) 27.3 19.4 ± 5.1 kJ/mol 16.04301 ± 0.00085 27680-53-1*0 Oxonium [H3O]+ (g, ortho) 605.90 599.09 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*1 Carbon atom C (g, quintuplet) 1114.970 1120.117 ± 0.048 kJ/mol 12.01070 ± 0.00080 7440-44-0*3 O--HH Complex (H2)(O) (g, vdW C2v ?) 247.2 248.2 ± 2.0 kJ/mol 18.01528 ± 0.00033 *7732-18-5*102 Isocyanic fluoride anion [FNC]- (g) 74.3 76.0 ± 5.7 kJ/mol 45.01639 ± 0.00080 357426-78-9*0 Nitrogen atom N (g, doublet) 700.554 702.457 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*2 Hydrobromate ion [HBr]- (g) -5.7 -12.2 ± 4.3 kJ/mol 80.9125 ± 0.0010 85532-97-4*0 Hydrogen peroxide H2O2 (aq) -190.78 ± 0.30 kJ/mol 34.01468 ± 0.00062 7722-84-1*800 Fluoro(fluorooxy)methylene FCOF (g) -135.8 -137.0 ± 2.1 kJ/mol 66.00691 ± 0.00085 479587-30-9*0 Trihydrogen H(HH) (g, Ry) 745.878 743.199 ± 0.062 kJ/mol 3.02382 ± 0.00021 12184-91-7*0 Dichlorine cation [Cl2]+ (g) 1108.287 1108.266 ± 0.013 kJ/mol 70.9049 ± 0.0018 12595-90-3*0 Fluorosyl fluoride anion [FFO]- (g) -147.2 -146.9 ± 3.0 kJ/mol 53.99675 ± 0.00030 *86825-57-2*0 Formic acid cation [HC(O)OH]+ (g) 721.92 715.38 ± 0.26 kJ/mol 46.0248 ± 0.0010 50614-05-6*0 (Methylamino)methyl anion [CH3NHCH2]- (g) 200.9 184.0 ± 3.2 kJ/mol 44.0763 ± 0.0017 *31277-25-5*0 Isocyanogen chloride anion [ClNC]- (g) 102.8 107.3 ± 3.9 kJ/mol 61.4707 ± 0.0012 923019-39-0*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 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) -242.72 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*501 Phosgene CCl2O (cr, l, II+liquid) -255.43 -242.72 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*502 Diiodine cation [I2]+ (g) 963.523 960.408 ± 0.018 kJ/mol 253.808391 ± 0.000060 28712-14-3*0 Chloro(chlorooxy)methylene ClCOCl (g) 73.5 73.7 ± 3.6 kJ/mol 98.9155 ± 0.0020 479587-31-0*0 Chloro(chlorooxy)methylene ClCOCl (g, trans?) 112. 114. ± 16. kJ/mol 98.9155 ± 0.0020 479587-31-0*1 Formic acid anion [HC(O)OH]- (g) -256.2 -262.3 ± 1.8 kJ/mol 46.0259 ± 0.0010 19066-82-1*0 Methyl fluoride cation [CH3F]+ (g) 981.81 974.32 ± 0.62 kJ/mol 34.03237 ± 0.00083 59122-96-2*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 Methyl fluoride CH3F (l) -245.74 ± 0.45 kJ/mol 34.03292 ± 0.00083 593-53-3*590 (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 O--HH Complex (H2)(O) (g, vdW Cinfv ?) 247.6 248.9 ± 2.7 kJ/mol 18.01528 ± 0.00033 *7732-18-5*101 Chloromethane CH3Cl (l) -105.96 -101.99 ± 0.25 kJ/mol 50.4872 ± 0.0012 74-87-3*590 Chloroformyl anion [ClCO]- (g) -356.5 -352.9 ± 3.3 kJ/mol 63.4633 ± 0.0012 41976-93-6*0 Water H2O (cr, eq.press.) -286.310 -292.751 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*509 Diazene HNNH (g, trans-cis equilib) 207.09 199.96 ± 0.44 kJ/mol 30.02936 ± 0.00020 3618-05-1*1 Fluorosyl fluoride cation [FFO]+ (g) 1413.0 1413.4 ± 3.5 kJ/mol 53.99566 ± 0.00030 *86825-50-5*0 Dinitrogen tetraoxide O2NNO2 (cr,l) -37.87 -27.02 ± 0.19 kJ/mol 92.0111 ± 0.0012 10544-72-6*500 Nitrosyl nitrite anion [ONONO]- (g) -103.1 -106.2 ± 2.8 kJ/mol 76.01223 ± 0.00091 *122413-35-8*0 Diazene anion [HNNH]- (g, trans-cis equilib) 265.5 258.7 ± 2.0 kJ/mol 30.02991 ± 0.00020 100429-75-2*1 Ethane anion [CH3CH3]- (g) 41.9 26.6 ± 4.4 kJ/mol 30.0696 ± 0.0017 54064-82-3*0 (Dimethylamino)methyl anion [(CH3)2NCH2]- (g) 189.5 165.3 ± 3.3 kJ/mol 58.1029 ± 0.0025 125231-49-4*0 2-Iodoethanol ICH2CH2OH (g) -132.0 -150.2 ± 2.5 kJ/mol 171.9650 ± 0.0017 624-76-0*0 Cyanogen chloride cation [ClCN]+ (g) 1326.12 1327.45 ± 0.97 kJ/mol 61.4696 ± 0.0012 37612-72-9*0 Propargylenide [HCCCH]- (g) 434.5 437.7 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*0 Hydroperoxonium [H2OOH]+ (g, cis) 762.5 752.6 ± 2.0 kJ/mol 35.02207 ± 0.00064 70850-26-9*2 Cyanogen NCCN (cr,l) 273.99 289.24 ± 0.43 kJ/mol 52.0349 ± 0.0016 460-19-5*500 Hydrodioxonitrogen cation [HN(O)O]+ (g) 1129.6 1123.0 ± 3.2 kJ/mol 47.01293 ± 0.00061 252986-76-8*0 Methyl bromide cation [CH3Br]+ (g) 996.93 982.01 ± 0.27 kJ/mol 94.9380 ± 0.0013 12538-70-4*0 Trihydrogen cation [H3]+ (g, ortho) 1110.577 1106.695 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*1 Isoformyl anion [COH]- (g) 55.8 58.4 ± 1.8 kJ/mol 29.01859 ± 0.00086 81747-63-9*0 Chloroethane CH3CH2Cl (cr,l) -134.19 -135.81 ± 0.20 kJ/mol 64.5138 ± 0.0019 75-00-3*500 Ethenol CH2CHOH (g, syn-anti equilib) -112.76 -123.18 ± 0.84 kJ/mol 44.0526 ± 0.0017 557-75-5*0 Hydrogen peroxide cation [H2O2]+ (g) 896.57 889.59 ± 0.58 kJ/mol 34.01413 ± 0.00062 12325-10-9*0 Vinyl alcohol cation [CH2CHOH]+ (g, anti-syn equilib) 778.9 768.0 ± 1.4 kJ/mol 44.0520 ± 0.0017 57239-63-1*0 Methyl iodide cation [CH3I]+ (g) 944.69 935.29 ± 0.18 kJ/mol 141.93844 ± 0.00083 12538-72-6*0 Cyanogen chloride anion [ClCN]- (g) 46.7 51.1 ± 3.1 kJ/mol 61.4707 ± 0.0012 12281-43-5*0 Oxoniumyl ion [H2O]+ (g, para) 978.714 975.563 ± 0.029 kJ/mol 18.01473 ± 0.00033 56583-62-1*2 Isocyanogen anion [CNCN]- (g, trans-cis equilib) 383.7 387.8 ± 2.6 kJ/mol 52.0354 ± 0.0016 *83951-85-3*0 Trihydrogen HHH (g, TS) 254.5 250.7 ± 1.2 kJ/mol 3.02382 ± 0.00021 12184-91-7*200 Hydrodioxonitrate [HN(O)O]- (g) -62.4 -68.8 ± 3.3 kJ/mol 47.01403 ± 0.00061 61508-71-2*0 Fluoroform CF3H (l) -704.21 ± 0.47 kJ/mol 70.01385 ± 0.00080 75-46-7*590 Imidogen NH (g, triplet) 358.74 358.79 ± 0.17 kJ/mol 15.014680 ± 0.000099 13774-92-0*1 Difluorodioxidanium [FOOF]+ (g) 1283.6 1280.0 ± 2.3 kJ/mol 69.99506 ± 0.00060 *7783-44-0*0 Peroxyhypochlorous acid anion [HOOCl]- (g, quartet) -32.2 -34.0 ± 2.6 kJ/mol 68.4600 ± 0.0011 *67952-08-3*0 Imidogen NH (g, singlet) 509.34 509.39 ± 0.18 kJ/mol 15.014680 ± 0.000099 13774-92-0*2 Carbonic acid C(O)(OH)2 (g) -602.74 -612.05 ± 0.79 kJ/mol 62.0248 ± 0.0012 463-79-6*0 Diisocyanogen cation [CNNC]+ (g, trans-cis equilib) 1823.1 1826.1 ± 3.5 kJ/mol 52.0343 ± 0.0016 *78800-21-2*0 Diazenide [NNH]- (g) 175.7 176.7 ± 1.6 kJ/mol 29.02197 ± 0.00016 71004-29-0*0 Fluorosyl fluoride FFO (g) 192.6 193.1 ± 2.3 kJ/mol 53.99621 ± 0.00030 86825-57-2*0 Ethylene anion [CH2CH2]- (g) 232.1 225.6 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*0 Perchloric acid cation [HOCl(O)(O)O]+ (g) 1191.8 1182.2 ± 3.5 kJ/mol 100.4577 ± 0.0015 91712-47-9*0 Ethynylene C2 (g, triplet) 827.45 834.15 ± 0.27 kJ/mol 24.0214 ± 0.0016 12070-15-4*1 Hydrogen isocyanide anion [HNC]- (g) 191.57 191.76 ± 0.38 kJ/mol 27.02593 ± 0.00081 96913-22-3*0 Cyanic fluoride cation [FCN]+ (g) 1294.5 1294.9 ± 1.1 kJ/mol 45.01529 ± 0.00080 62532-69-8*0 Bromine atom Br (g, 2P1/2) 162.001 155.939 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*2 Isocyanogen chloride cation [ClNC]+ (g) 1480.9 1482.1 ± 3.9 kJ/mol 61.4696 ± 0.0012 956475-91-5*0 Isocyanogen bromide cation [BrNC]+ (g) 1470.3 1464.6 ± 5.9 kJ/mol 105.9209 ± 0.0013 238754-53-5*0 Hydroxyformyl HOCO (g, trans-cis equilib) -181.19 -183.77 ± 0.50 kJ/mol 45.0174 ± 0.0010 2564-86-5*0 Difluorodioxidane anion [FOOF]- (g) -251. -251. ± 28. kJ/mol 69.99615 ± 0.00060 *7783-45-1*0 Water H2O (g, ortho) -238.654 -241.842 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*1 Hydroxyformyl anion [HOCO]- (g, trans-cis equilib) -319.50 -321.58 ± 0.60 kJ/mol 45.0180 ± 0.0010 78944-70-4*0 Peroxychlorous acid HOOClO (g, perp ?) 102.3 96.2 ± 3.7 kJ/mol 84.4588 ± 0.0013 177778-92-6*3 Chlorine atom Cl (g, 2P1/2) 130.176 131.783 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*2 Ethylidene CH3CH (g) 361.30 354.32 ± 0.91 kJ/mol 28.0532 ± 0.0016 4218-50-2*0 Bromoform CBr3H (l) 3.0 ± 1.3 kJ/mol 252.7306 ± 0.0031 75-25-2*590 Water H2O (cr, l, eq.press.) -286.310 -285.838 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*499 Phenol cation [C6H5OH]+ (g) 746.32 727.53 ± 0.68 kJ/mol 94.1107 ± 0.0048 40932-22-7*0 Hydrogen peroxide cation [H2O2]+ (g, trans, para) 896.60 889.59 ± 0.58 kJ/mol 34.01413 ± 0.00062 12325-10-9*12 Hydroperoxonium [H2OOH]+ (g) 738.1 727.8 ± 1.2 kJ/mol 35.02207 ± 0.00064 70850-26-9*0 Oxonium [H3O]+ (aq) -285.836 ± 0.027 kJ/mol 19.02267 ± 0.00037 13968-08-6*800 Hydroxyamidogen HNOH (g) 101.6 94.8 ± 1.1 kJ/mol 32.02202 ± 0.00034 13940-32-4*0 Cyclopropylium [CH(CH2CH2)]+ (g) 1104.7 1093.3 ± 4.1 kJ/mol 41.0713 ± 0.0024 1724-43-2*0 Benzaldehyde cation [C6H5C(O)H]+ (g) 896.9 880.2 ± 1.9 kJ/mol 106.1214 ± 0.0056 80226-59-1*0 Benzaldehyde anion [C6H5C(O)H]- (g) -60.1 -77.7 ± 1.2 kJ/mol 106.1225 ± 0.0056 34473-57-9*0 Methylene fluoride CH2F2 (l) -466.85 ± 0.39 kJ/mol 52.02339 ± 0.00081 75-10-5*590 C=O-C cation [COC]+ (g) 1575.8 1582.9 ± 2.4 kJ/mol 40.0203 ± 0.0016 83483-98-1*0 Dioxyamidogen HNOO (g, trans) 251.1 244.5 ± 2.5 kJ/mol 47.01348 ± 0.00061 71843-95-3*1 Hydroxyaminylium [HNOH]+ (g) 1019.6 1012.5 ± 2.5 kJ/mol 32.02147 ± 0.00034 66097-71-0*0 Hypochloroperoxoous acid, hydroxy ester HOOOCl (g) 49.2 42.4 ± 1.9 kJ/mol 84.4588 ± 0.0013 928652-99-7*0 2-Cyclopropyn-1-ylidene C(CC) (g) 899.2 906.1 ± 1.6 kJ/mol 36.0321 ± 0.0024 102508-15-6*0 Cyclopropane CH2(CH2CH2) (l) 35.52 ± 0.59 kJ/mol 42.0797 ± 0.0024 75-19-4*500 Trihydrogen H(HH) (g, TS) 477.4 474.7 ± 2.3 kJ/mol 3.02382 ± 0.00021 12184-91-7*201 Dinitrogen dioxide ONNO (g) 172.88 171.12 ± 0.14 kJ/mol 60.01228 ± 0.00062 16824-89-8*0 1,2-Propadien-1-yl-3-ylidene anion [CCC]- (g, lin) 621.9 629.3 ± 1.3 kJ/mol 36.0326 ± 0.0024 109292-47-9*1 Cyanogen bromide cation [BrCN]+ (g) 187.3 180.9 ± 1.1 kJ/mol 105.9209 ± 0.0013 34749-77-4*0 Iminomethyl HCNH (g) 275.83 272.23 ± 0.71 kJ/mol 28.03332 ± 0.00082 15691-95-9*0 Cyanic fluoride anion [FCN]- (g) -20.4 -18.4 ± 2.9 kJ/mol 45.01639 ± 0.00080 34507-50-1*0 Trioxygen difluoride FOOOF (g, cis) 113.6 107.8 ± 2.1 kJ/mol 85.99501 ± 0.00090 16829-28-0*2 Nitrosyl nitrite ONONO (g) 93.0 88.1 ± 1.3 kJ/mol 76.01168 ± 0.00091 122413-35-8*0 Trioxodinitrate anion [ONNO2]- (g) -104.9 -108.8 ± 2.4 kJ/mol 76.01223 ± 0.00091 194856-62-7*0 Dioxymethylene HCOO (g, cis-trans equilib) 341.1 338.9 ± 3.4 kJ/mol 45.0174 ± 0.0010 438586-67-5*0 Hydrogen peroxide cation [H2O2]+ (g, cis, ortho) 930.5 923.6 ± 1.0 kJ/mol 34.01413 ± 0.00062 12325-10-9*21 Chlorous acid cation [HOClO]+ (g) 996.6 991.6 ± 3.1 kJ/mol 68.4589 ± 0.0011 *99559-66-7*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 Methanediol CH2(OH)2 (g) -379.2 -392.6 ± 1.1 kJ/mol 48.0413 ± 0.0010 463-57-0*0 Oxirene O(CHCH) (g, triplet) 388.7 385.4 ± 2.6 kJ/mol 42.0367 ± 0.0016 157-18-6*1 Aminomethylidyne anion [CNH2]- (g, triplet) 481.6 478.0 ± 3.2 kJ/mol 28.03387 ± 0.00082 96808-04-7*1 Fluorine atom F (g, 2P1/2) 82.088 83.872 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*2 COC vdW (CO)(C) (g) 589.3 598.1 ± 1.9 kJ/mol 40.0208 ± 0.0016 *12071-24-8*0 Hydrazine anion [NH2NH2]- (g) 232.1 217.8 ± 4.1 kJ/mol 32.04579 ± 0.00031 65391-88-0*0 Chlorine trifluoride anion [FCl(F)F]- (g) -480.4 -481.9 ± 3.6 kJ/mol 92.44846 ± 0.00090 184289-50-7*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 Methyl nitrite CH3ONO (g, trans) -52.46 -64.42 ± 0.90 kJ/mol 61.0401 ± 0.0010 624-91-9*1 Methyl nitrite CH3ONO (cr,l) -88.82 ± 0.56 kJ/mol 61.0401 ± 0.0010 624-91-9*500 Hydrogen peroxide H2O2 (g, ortho) -129.472 -135.478 ± 0.063 kJ/mol 34.01468 ± 0.00062 7722-84-1*1 2,2,4-Trimethylpentane (CH3)2CHCH2C(CH3)3 (g) -171.4 -223.8 ± 1.5 kJ/mol 114.2285 ± 0.0065 540-84-1*0 Carbon atom C (diamond) 2.391 1.863 ± 0.044 kJ/mol 12.01070 ± 0.00080 7440-44-0*501 Dinitrogen anion [N2]- (g) 192.5 192.5 ± 1.7 kJ/mol 28.01403 ± 0.00014 12185-02-3*0 Nitrous acid anion [HONO]- (g) -107.0 -110.5 ± 2.4 kJ/mol 47.01403 ± 0.00061 256393-36-9*0 Methylaminyliumyl [CH3N]+ (g ?) 1388.3 1382.0 ± 2.6 kJ/mol 29.04071 ± 0.00083 56924-51-7*0 Iminomethyl anion [HCNH]- (g) 237.4 233.6 ± 1.8 kJ/mol 28.03387 ± 0.00082 90623-30-6*0 Hydroperoxyimidogen HOON (g, cis) 111.8 108.9 ± 2.8 kJ/mol 47.01348 ± 0.00061 877456-58-1*2 Peroxyhypochlorous acid cation [HOOCl]+ (g) 1030.3 1024.5 ± 2.5 kJ/mol 68.4589 ± 0.0011 *67952-07-2*0 Oxide [O]-2 (g) 651. 653. ± 15. kJ/mol 16.00050 ± 0.00030 16833-27-5*0 Succinic acid (CH2COOH)2 (g) -795.65 -817.79 ± 0.61 kJ/mol 118.0880 ± 0.0034 110-15-6*0 Iodine monochloride ICl (cr,l) -36.511 -35.537 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*500 Dicarbon monoxide CCO (g) 377.3 381.3 ± 1.1 kJ/mol 40.0208 ± 0.0016 12071-23-7*0 Peroxyformic acid HC(O)OOH (g) -279.8 -288.9 ± 1.1 kJ/mol 62.0248 ± 0.0012 107-32-4*0 3-Chloro-3-methyl-3H-diazirine (NNC)ClCH3 (g) 230. 218. ± 40. kJ/mol 90.5114 ± 0.0019 4222-21-3*0 Chlorous acid anion [HOClO]- (g) -154.3 -156.2 ± 3.3 kJ/mol 68.4600 ± 0.0011 99559-66-7*0 Trioxidaniumyl [HOOOH]+ (g) 925.7 916.8 ± 1.5 kJ/mol 50.01353 ± 0.00091 161321-37-5*0 Diazene HNNH (g, trans-cis-iso equilib) 207.09 199.96 ± 0.44 kJ/mol 30.02936 ± 0.00020 3618-05-1*0 1,1-Dibromoethane CHBr2CH3 (cr,l) -66.4 ± 1.4 kJ/mol 187.8612 ± 0.0026 557-91-5*500 Iodosyl ion [IO]+ (g) 1066.1 1064.1 ± 1.9 kJ/mol 142.90332 ± 0.00030 81182-81-2*0 Propynylidene HCCCH (g, singlet) 597.6 599.4 ± 1.2 kJ/mol 38.0480 ± 0.0024 67152-18-5*2 Methoxycarbonyl C(O)OCH3 (g) -150.1 -157.8 ± 2.1 kJ/mol 59.0440 ± 0.0017 16481-04-2*0 Diazanide [NH2NH]- (g) 249.4 239.3 ± 3.1 kJ/mol 31.03785 ± 0.00025 25415-88-7*0 Hydrazoic acid anion [HNNN]- (g) 309.0 303.1 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*0 1,2-Dichloroethene CHClCHCl (g) 3.46 -1.86 ± 0.56 kJ/mol 96.9427 ± 0.0024 540-59-0*0 (Formyloxy)methyl HC(O)OCH2 (g) -148.7 -156.8 ± 1.7 kJ/mol 59.0440 ± 0.0017 3122-12-1*0 Methylaminyliumyl [CH3N]+ (g, quartet) 1423.0 1416.1 ± 2.6 kJ/mol 29.04071 ± 0.00083 56924-51-7*2 2-Hydroxyethyl CH2CH2OH (g) -12.84 -26.11 ± 0.63 kJ/mol 45.0605 ± 0.0017 4422-54-2*0 Krypton dication [Kr]+2 (g) 3701.124 3701.124 ± 0.013 kJ/mol 83.7989 ± 0.1000 18469-91-5*0 Chloromethylene CHCl (g) 320.24 320.53 ± 0.89 kJ/mol 48.4713 ± 0.0012 2108-20-5*0 Xenon dication [Xe]+2 (g) 3194.14 3194.14 ± 0.36 kJ/mol 131.2889 ± 0.0200 14066-95-6*0 Dichloromethylene CCl2 (g) 229.49 230.67 ± 0.65 kJ/mol 82.9161 ± 0.0020 1605-72-7*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 ± 0.0011 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. 1.122d of the Thermochemical Network, Argonne National Laboratory (2018); available at ATcT.anl.gov
4
B. Ruscic,
Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry.
J. Phys. Chem. A 119 , 7810-7837 (2015)
[DOI: 10.1021/acs.jpca.5b01346]
5
T. L. Nguyen, J. H. Baraban, B. Ruscic, and J. F. Stanton,
On the HCN – HNC Energy Difference.
J. Phys. Chem. A 119 , 10929-10934 (2015)
[DOI: 10.1021/acs.jpca.5b08406]
6
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]
7
B. Ruscic,
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables.
Int. J. Quantum Chem. 114 , 1097-1101 (2014)
[DOI: 10.1002/qua.24605]
Formula
The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.
Uncertainties
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [7 ]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
Website Functionality Credits
The reorganization of the website was developed and implemented by David H. Bross (ANL).
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict .
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/ .
Acknowledgement
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.
Page generated: 03/27/2025