ATcT [1 , 2 ] enthalpies of formation based on version 1.122b of the Thermochemical Network [3 ]
Below is a list of 0 K and 298.15 K enthalpies of formation
for all 1199 species included in version 1.122b (as of 09/05/2016). This version of ATcT results was generated from an expansion of version 1.122 [4 ][5 ] to include the best possible isomerization of HCN and HNC [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.)
Reaction Search
The reaction search accepts only the preferred formula, as specified in this version of the Thermochemical Network. For help finding the current preferred formula of a species, please refer to the species name or species formula searches above. For convenience clicking the preferred formula adds it to the species list for reaction searches. The stoichiometry represents fractions as decimals, e.g. 0.5 O2, 1 H2, 1 H2O would represent 1/2 O2 + H2 → H2O
Species Name
Preferred Formula
Image
Δf H°(0 K)
Δf H°(298.15 K)
Uncertainty
Units
Relative Molecular Mass
ATcT ID
Dihydrogen H2 (g) 0 0 exact 2.01588 ± 0.00014 1333-74-0*0 Helium He (g) 0 0 exact 4.0026020 ± 0.0000020 7440-59-7*0 Carbon atom C (graphite) 0 0 exact 12.01070 ± 0.00080 7440-44-0*500 Dinitrogen N2 (g) 0 0 exact 28.01348 ± 0.00014 7727-37-9*0 Dioxygen O2 (g) 0 0 exact 31.99880 ± 0.00060 7782-44-7*0 Difluorine F2 (g) 0 0 exact 37.9968064 ± 0.0000010 7782-41-4*0 Neon Ne (g) 0 0 exact 20.17970 ± 0.00060 7440-01-9*0 Dichlorine Cl2 (g) 0 0 exact 70.9054 ± 0.0018 7782-50-5*0 Argon Ar (g) 0 0 exact 39.94800 ± 0.00100 7440-37-1*0 Dibromine Br2 (cr,l) 0 0 exact 159.8080 ± 0.0020 7726-95-6*500 Krypton Kr (g) 0 0 exact 83.8000 ± 0.1000 7439-90-9*0 Diiodine I2 (cr,l) 0 0 exact 253.808940 ± 0.000060 7553-56-2*500 Xenon Xe (g) 0 0 exact 131.2900 ± 0.0200 7440-63-3*0 Deuterium molecule D2 (g) 0 0 exact 4.02820355600 ± 0.00000000080 7782-39-0*0 Hydrogen atom H (g) 216.034 217.998 ± 0.000 kJ/mol 1.007940 ± 0.000070 12385-13-6*0 Carbon atom C (g) 711.401 716.886 ± 0.050 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) 470.578 472.440 ± 0.024 kJ/mol 14.006740 ± 0.000070 17778-88-0*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) 77.263 79.369 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*0 Methane CH4 (g) -66.550 -74.519 ± 0.057 kJ/mol 16.04246 ± 0.00085 74-82-8*0 Water H2O (cr,l) -286.300 -285.828 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*500 Water H2O (g) -238.930 -241.833 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*0 Chlorine atom Cl (g) 119.621 121.302 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*0 Bromine atom Br (g) 117.917 111.854 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*0 Ethane C2H6 (g) -68.29 -83.91 ± 0.14 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 Hydroxyl OH (g) 37.250 37.490 ± 0.027 kJ/mol 17.00734 ± 0.00031 3352-57-6*0 Ethylene C2H4 (g) 60.96 52.45 ± 0.13 kJ/mol 28.0532 ± 0.0016 74-85-1*0 Carbon monoxide CO (g) -113.803 -110.523 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*0 Hydrogen chloride HCl (g) -91.989 -92.173 ± 0.0062 kJ/mol 36.46064 ± 0.00090 7647-01-0*0 Methyl CH3 (g) 149.788 146.374 ± 0.080 kJ/mol 15.03452 ± 0.00083 2229-07-4*0 Hydrogen bromide HBr (g) -27.81 -35.66 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*0 Methanol CH3OH (g) -189.82 -200.71 ± 0.16 kJ/mol 32.04186 ± 0.00090 67-56-1*0 Hydrogen fluoride HF (g) -272.668 -272.715 ± 0.049 kJ/mol 20.006343 ± 0.000070 7664-39-3*0 Iodine atom I (g) 107.157 106.757 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*0 Formaldehyde H2CO (g) -105.349 -109.188 ± 0.099 kJ/mol 30.02598 ± 0.00087 50-00-0*0 Acetylene HCCH (g) 228.83 228.27 ± 0.14 kJ/mol 26.0373 ± 0.0016 74-86-2*0 Nitric oxide NO (g) 90.617 91.121 ± 0.065 kJ/mol 30.00614 ± 0.00031 10102-43-9*0 Ethanol CH3CH2OH (g) -216.89 -234.61 ± 0.21 kJ/mol 46.0684 ± 0.0017 64-17-5*0 Methyl chloride CH3Cl (g) -74.25 -82.18 ± 0.25 kJ/mol 50.4872 ± 0.0012 74-87-3*0 Ethyl CH3CH2 (g) 130.92 119.86 ± 0.28 kJ/mol 29.0611 ± 0.0016 2025-56-1*0 Propane CH3CH2CH3 (g) -82.75 -105.03 ± 0.19 kJ/mol 44.0956 ± 0.0025 74-98-6*0 Nitrogen dioxide ONO (g) 36.856 34.049 ± 0.065 kJ/mol 46.00554 ± 0.00060 10102-44-0*0 Ammonia NH3 (g) -38.562 -45.554 ± 0.030 kJ/mol 17.03056 ± 0.00022 7664-41-7*0 Hydrogen cyanide HCN (g) 129.660 129.275 ± 0.091 kJ/mol 27.02538 ± 0.00081 74-90-8*0 Hydrogen iodide HI (g) 28.641 26.466 ± 0.036 kJ/mol 127.912410 ± 0.000076 10034-85-2*0 Methyl fluoride CH3F (g) -227.77 -235.80 ± 0.23 kJ/mol 34.03292 ± 0.00083 593-53-3*0 Methyl bromide CH3Br (g) -20.36 -35.76 ± 0.27 kJ/mol 94.9385 ± 0.0013 74-83-9*0 Hydrogen peroxide H2O2 (g) -129.471 -135.457 ± 0.064 kJ/mol 34.01468 ± 0.00062 7722-84-1*0 Hydroxyde [OH]- (g) -139.091 -139.058 ± 0.027 kJ/mol 17.00789 ± 0.00031 14280-30-9*0 Dioxidanyl HO2 (g) 15.16 12.26 ± 0.16 kJ/mol 33.00674 ± 0.00060 3170-83-0*0 Propylene CH3CHCH2 (g) 35.00 19.99 ± 0.22 kJ/mol 42.0797 ± 0.0024 115-07-1*0 Tetrafluoromethane CF4 (g) -927.41 -933.39 ± 0.25 kJ/mol 88.00431 ± 0.00080 75-73-0*0 Fluoride F- (g) -250.901 -249.117 ± 0.048 kJ/mol 18.99895178 ± 0.00000050 16984-48-8*0 Hypochlorous acid HOCl (g) -73.867 -76.807 ± 0.028 kJ/mol 52.46004 ± 0.00095 7790-92-3*0 Acetaldehyde CH3CHO (g) -154.97 -165.45 ± 0.28 kJ/mol 44.0526 ± 0.0017 75-07-0*0 Benzene C6H6 (g) 100.62 83.11 ± 0.25 kJ/mol 78.1118 ± 0.0048 71-43-2*0 Dibromine Br2 (g) 45.68 30.89 ± 0.11 kJ/mol 159.8080 ± 0.0020 7726-95-6*0 Diiodine I2 (g) 65.497 62.417 ± 0.0041 kJ/mol 253.808940 ± 0.000060 7553-56-2*0 Methylidyne CH (g) 592.78 596.12 ± 0.11 kJ/mol 13.01864 ± 0.00080 3315-37-5*0 Formic acid HC(O)OH (g, syn) -371.12 -378.45 ± 0.22 kJ/mol 46.0254 ± 0.0010 64-18-6*1 Fluoroform CF3H (g) -688.92 -695.87 ± 0.43 kJ/mol 70.01385 ± 0.00080 75-46-7*0 Oxonium [H3O]+ (g) 605.85 599.10 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*0 Hypoflorous acid HOF (g) -84.37 -87.27 ± 0.19 kJ/mol 36.00574 ± 0.00031 14034-79-8*0 Hypobromous acid HOBr (g) -51.38 -61.85 ± 0.57 kJ/mol 96.9113 ± 0.0010 13517-11-8*0 Methyl iodide CH3I (g) 24.48 14.94 ± 0.17 kJ/mol 141.93899 ± 0.00083 74-88-4*0 Trifluoromethyl CF3 (g) -465.15 -467.94 ± 0.49 kJ/mol 69.00591 ± 0.00080 2264-21-3*0 Propyne CH3CCH (g) 192.80 185.74 ± 0.25 kJ/mol 40.0639 ± 0.0024 74-99-7*0 Methylene CH2 (g, triplet) 390.96 391.52 ± 0.12 kJ/mol 14.02658 ± 0.00081 2465-56-7*1 Methylene CH2 (g, singlet) 428.62 429.03 ± 0.13 kJ/mol 14.02658 ± 0.00081 2465-56-7*2 Vinyl C2H3 (g) 301.11 296.91 ± 0.33 kJ/mol 27.0452 ± 0.0016 2669-89-8*0 Ketene CH2CO (g) -45.45 -48.57 ± 0.13 kJ/mol 42.0367 ± 0.0016 463-51-4*0 Tetrachloromethane CCl4 (g) -94.27 -96.44 ± 0.64 kJ/mol 153.8215 ± 0.0037 56-23-5*0 Imidogen NH (g) 358.73 358.77 ± 0.17 kJ/mol 15.014680 ± 0.000099 13774-92-0*0 Allene CH2CCH2 (g) 197.34 189.85 ± 0.26 kJ/mol 40.0639 ± 0.0024 463-49-0*0 n-Butane CH3CH2CH2CH3 (g) -98.63 -125.94 ± 0.27 kJ/mol 58.1222 ± 0.0033 106-97-8*0 Difluorophosgene COF2 (g) -603.50 -606.60 ± 0.46 kJ/mol 66.00691 ± 0.00085 353-50-4*0 Bromide Br- (g) -206.620 -212.683 ± 0.056 kJ/mol 79.90455 ± 0.00100 24959-67-9*0 Oxomethylium [HCO]+ (g) 827.802 827.217 ± 0.099 kJ/mol 29.01749 ± 0.00086 17030-74-9*0 Iodide I- (g) -187.995 -188.396 ± 0.0021 kJ/mol 126.905019 ± 0.000030 20461-54-5*0 Nitric acid HNO3 (g) -124.48 -134.19 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*0 Formyl HCO (g) 41.426 41.803 ± 0.099 kJ/mol 29.01804 ± 0.00086 2597-44-6*0 Hydroxymethyl CH2OH (g) -10.26 -16.57 ± 0.33 kJ/mol 31.03392 ± 0.00088 2597-43-5*0 Chloroxyl radical ClO (g) 101.124 101.715 ± 0.035 kJ/mol 51.45210 ± 0.00095 14989-30-1*0 Methylium [CH3]+ (g) 1099.243 1095.299 ± 0.078 kJ/mol 15.03397 ± 0.00083 14531-53-4*0 Ozone OOO (g) 144.396 141.733 ± 0.039 kJ/mol 47.99820 ± 0.00090 10028-15-6*0 Cyanogen chloride ClCN (g) 135.03 135.72 ± 0.44 kJ/mol 61.4701 ± 0.0012 506-77-4*0 Phenyl C6H5 (g) 350.37 337.08 ± 0.57 kJ/mol 77.1039 ± 0.0048 2396-01-2*0 Ethylium [CH3CH2]+ (g) 915.03 902.95 ± 0.32 kJ/mol 29.0606 ± 0.0016 14936-94-8*0 Methoxide [CH3O]- (g) -122.54 -130.27 ± 0.35 kJ/mol 31.03447 ± 0.00088 3315-60-4*0 Methoxy CH3O (g) 28.90 21.53 ± 0.34 kJ/mol 31.03392 ± 0.00088 2143-68-2*0 Tetrabromomethane CBr4 (g) 131.5 101.9 ± 1.1 kJ/mol 331.6267 ± 0.0041 558-13-4*0 Oxygen atom anion O- (g) 105.868 108.097 ± 0.0021 kJ/mol 15.99995 ± 0.00030 14337-01-0*0 Nitrilomethyl CN (g) 436.73 440.01 ± 0.15 kJ/mol 26.01744 ± 0.00080 2074-87-5*0 Cyanogen fluoride FCN (g) 8.88 9.21 ± 0.68 kJ/mol 45.01584 ± 0.00080 1495-50-7*0 Chloride Cl- (g) -228.953 -227.346 ± 0.0021 kJ/mol 35.45325 ± 0.00090 16887-00-6*0 Trihydrogen cation [H3]+ (g) 1110.304 1106.696 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*0 Cyanogen bromide BrCN (g) 187.41 180.62 ± 0.73 kJ/mol 105.9214 ± 0.0013 506-68-3*0 Methylene fluoride CH2F2 (g) -443.16 -450.73 ± 0.36 kJ/mol 52.02339 ± 0.00081 75-10-5*0 2-Propynyl CH2CCH (g) 354.00 351.44 ± 0.38 kJ/mol 39.0559 ± 0.0024 2932-78-7*0 Propynylidene HCCCH (g, triplet) 543.38 546.37 ± 0.63 kJ/mol 38.0480 ± 0.0024 67152-18-5*1 Dioxymethyl CH2OO (g) 112.43 105.42 ± 0.61 kJ/mol 46.0254 ± 0.0010 56077-92-0*0 Oxygen atom cation O+ (g) 1560.786 1562.644 ± 0.0021 kJ/mol 15.99885 ± 0.00030 14581-93-2*0 Hypochlorite [ClO]- (g) -118.60 -118.33 ± 0.13 kJ/mol 51.45265 ± 0.00095 14380-61-1*0 1,2-Propadiene-1,3-diylidene CCC (g) 814.52 823.47 ± 0.54 kJ/mol 36.0321 ± 0.0024 12075-35-3*0 Allyl CH2CHCH2 (g) 179.56 167.84 ± 0.54 kJ/mol 41.0718 ± 0.0024 1981-80-2*0 1-Hydroxyethyl CH3CHOH (g, gauche-anti) -42.17 -55.59 ± 0.61 kJ/mol 45.0605 ± 0.0017 2348-46-1*1 2-Hydroxyethyl CH2CH2OH (g, gauche-syn) -12.79 -26.06 ± 0.61 kJ/mol 45.0605 ± 0.0017 4422-54-2*1 Ethyl chloride CH3CH2Cl (g) -96.76 -111.35 ± 0.20 kJ/mol 64.5138 ± 0.0019 75-00-3*0 Hydride H- (g) 143.264 145.228 ± 0.000 kJ/mol 1.008489 ± 0.000070 12184-88-2*0 Oxygen difluoride FOF (g) 26.94 24.68 ± 0.25 kJ/mol 53.99621 ± 0.00030 7783-41-7*0 Methylenimine H2CNH (g) 96.53 88.62 ± 0.63 kJ/mol 29.04126 ± 0.00083 2053-29-4*0 Methylamine CH3NH2 (g) -5.97 -21.05 ± 0.46 kJ/mol 31.05714 ± 0.00088 74-89-5*0 Nitrite [ONO]- (g) -182.69 -185.50 ± 0.45 kJ/mol 46.00609 ± 0.00060 14797-65-0*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) -73.018 -79.161 ± 0.079 kJ/mol 47.01348 ± 0.00061 7782-77-6*1 Ethynylene C2 (g) 820.21 828.67 ± 0.27 kJ/mol 24.0214 ± 0.0016 12070-15-4*0 Ethynyl C2H (g) 563.87 567.99 ± 0.15 kJ/mol 25.0293 ± 0.0016 2122-48-7*0 Ethoxide [CH3CH2O]- (g) -164.14 -179.08 ± 0.52 kJ/mol 45.0610 ± 0.0017 16331-64-9*0 Chloroform CCl3H (g) -98.49 -103.39 ± 0.64 kJ/mol 119.3767 ± 0.0028 67-66-3*0 Methylene chloride CH2Cl2 (g) -87.85 -94.71 ± 0.59 kJ/mol 84.9320 ± 0.0020 75-09-2*0 Tetrafluoroethylene C2F4 (g) -671.52 -674.93 ± 0.57 kJ/mol 100.0150 ± 0.0016 116-14-3*0 Phenylium [C6H5]+ (g) 1148.47 1136.57 ± 0.89 kJ/mol 77.1034 ± 0.0048 17333-73-2*0 Hypoiodous acid HOI (g) -56.6 -61.3 ± 2.0 kJ/mol 143.91181 ± 0.00031 14332-21-9*0 Amidogen NH2 (g) 188.91 186.02 ± 0.12 kJ/mol 16.02262 ± 0.00016 13770-40-6*0 Methanium [CH5]+ (g) 922.07 911.83 ± 0.44 kJ/mol 17.04985 ± 0.00087 15135-49-6*0 Hydroxylamine NH2OH (g, trans) -33.12 -43.50 ± 0.49 kJ/mol 33.02996 ± 0.00037 7803-49-8*1 Oxirane O(CH2CH2) (g) -40.00 -52.54 ± 0.38 kJ/mol 44.0526 ± 0.0017 75-21-8*0 Methyl hydroperoxide CH3OOH (g) -114.90 -127.72 ± 0.74 kJ/mol 48.0413 ± 0.0010 3031-73-0*0 Hydroxyformyl HOCO (g, trans) -180.96 -183.92 ± 0.48 kJ/mol 45.0174 ± 0.0010 2564-86-5*1 Isocyanic acid HNCO (g) -115.85 -118.85 ± 0.31 kJ/mol 43.02478 ± 0.00086 75-13-8*0 Tetraiodomethane CI4 (g) 340.8 335.7 ± 1.3 kJ/mol 519.62858 ± 0.00081 507-25-5*0 Chlorotrifluoromethane CF3Cl (g) -704.97 -710.08 ± 0.72 kJ/mol 104.4586 ± 0.0012 75-72-9*0 Bromotrifluoromethane CF3Br (g) -639.45 -651.57 ± 0.50 kJ/mol 148.9099 ± 0.0013 75-63-8*0 Fluoromethylidyne CF (g) 243.11 246.71 ± 0.13 kJ/mol 31.00910 ± 0.00080 3889-75-6*0 Fluoroxyl radical FO (g) 110.26 110.88 ± 0.15 kJ/mol 34.99780 ± 0.00030 12061-70-0*0 Dioxygen cation [O2]+ (g) 1164.585 1165.221 ± 0.0092 kJ/mol 31.99825 ± 0.00060 12185-07-8*0 Methylidyne CH (g, quartet) 664.55 667.88 ± 0.59 kJ/mol 13.01864 ± 0.00080 3315-37-5*2 Ethoxy CH3CH2O (g, X 2A") 1.13 -12.77 ± 0.51 kJ/mol 45.0605 ± 0.0017 2154-50-9*51 Cyanato NCO (g) 127.02 127.49 ± 0.35 kJ/mol 42.01684 ± 0.00086 22400-26-6*0 Phosgene COCl2 (g) -217.43 -219.13 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*0 Bromoform CBr3H (g) 74.3 48.1 ± 1.3 kJ/mol 252.7306 ± 0.0031 75-25-2*0 Vinyl chloride CH2CHCl (g) 29.57 22.10 ± 0.34 kJ/mol 62.4979 ± 0.0018 75-01-4*0 Acetone CH3C(O)CH3 (g) -199.45 -216.14 ± 0.36 kJ/mol 58.0791 ± 0.0025 67-64-1*0 Hydrogen fluoride HF (aq) -334.51 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*800 Hypobromite [BrO]- (g) -96.24 -103.73 ± 0.55 kJ/mol 95.9039 ± 0.0010 14380-62-2*0 Diazenylium [N2H]+ (g) 1042.78 1039.17 ± 0.73 kJ/mol 29.02087 ± 0.00016 12357-66-3*0 Peroxynitrous acid HOONO (g, cis, cis) -5.99 -14.43 ± 0.36 kJ/mol 63.01288 ± 0.00091 14691-52-2*3 Dioxygenyl fluoride FOO (g) 26.75 25.04 ± 0.27 kJ/mol 50.99720 ± 0.00060 15499-23-7*0 Cyclopropane CH2(CH2CH2) (g) 70.80 53.65 ± 0.46 kJ/mol 42.0797 ± 0.0024 75-19-4*0 Propadienylidene CH2CC (g) 554.44 555.59 ± 0.42 kJ/mol 38.0480 ± 0.0024 60731-10-4*0 Acetyl CH3CO (g) -3.32 -9.98 ± 0.37 kJ/mol 43.0446 ± 0.0016 3170-69-2*0 Methylperoxy CH3OO (g) 22.29 12.54 ± 0.49 kJ/mol 47.0333 ± 0.0010 2143-58-0*0 Ethyl fluoride CH3CH2F (g) -257.29 -272.16 ± 0.37 kJ/mol 48.0595 ± 0.0016 353-36-6*0 Ethyl bromide CH3CH2Br (g) -41.14 -63.09 ± 0.26 kJ/mol 108.9651 ± 0.0019 74-96-4*0 Vinyl fluoride CH2CHF (g) -134.71 -142.51 ± 0.47 kJ/mol 46.0436 ± 0.0016 75-02-5*0 Vinyl bromide CH2CHBr (g) 88.82 74.01 ± 0.59 kJ/mol 106.9492 ± 0.0019 593-60-2*0 2-Bromoethanol BrCH2CH2OH (g) -196.56 -220.63 ± 0.54 kJ/mol 124.9645 ± 0.0019 540-51-2*0 Fluorobenzene C6H5F (g) -99.29 -114.97 ± 0.83 kJ/mol 96.1023 ± 0.0048 462-06-6*0 Nitromethane CH3N(O)O (g) -60.86 -74.76 ± 0.47 kJ/mol 61.0401 ± 0.0010 75-52-5*0 Dioxidanide [HO2]- (g) -88.86 -91.52 ± 0.38 kJ/mol 33.00729 ± 0.00060 14691-59-9*0 Nitrous oxide NNO (g) 85.998 82.569 ± 0.097 kJ/mol 44.01288 ± 0.00033 10024-97-2*0 (E)-Diazene HNNH (g, trans) 207.35 200.21 ± 0.44 kJ/mol 30.02936 ± 0.00020 15626-43-4*0 Hydroxyoxomethylium [HOCO]+ (g) 600.76 597.68 ± 0.43 kJ/mol 45.0169 ± 0.0010 638-71-1*0 Vinylium [C2H3]+ (g) 1119.20 1115.75 ± 0.57 kJ/mol 27.0447 ± 0.0016 14604-48-9*0 Hydroxymethylium [CH2OH]+ (g) 717.85 709.91 ± 0.19 kJ/mol 31.03337 ± 0.00088 18682-95-6*0 Cyanogen NCCN (g) 308.17 310.12 ± 0.43 kJ/mol 52.0349 ± 0.0016 460-19-5*0 Cyanogen iodide ICN (g) 222.47 221.95 ± 0.99 kJ/mol 152.92191 ± 0.00080 506-78-5*0 iso-Propyl CH3CHCH3 (g) 105.28 88.68 ± 0.67 kJ/mol 43.0877 ± 0.0024 2025-55-0*0 Ethynide [C2H]- (g) 277.42 280.83 ± 0.19 kJ/mol 25.0299 ± 0.0016 29075-95-4*0 iso-Butane CH(CH3)3 (g) -106.17 -134.78 ± 0.33 kJ/mol 58.1222 ± 0.0033 75-28-5*0 n-Pentane CH3CH2CH2CH2CH3 (g) -114.47 -146.34 ± 0.31 kJ/mol 72.1488 ± 0.0041 109-66-0*0 2-Chloroethanol ClCH2CH2OH (g) -250.03 -266.74 ± 0.61 kJ/mol 80.5132 ± 0.0019 107-07-3*0 Hypofluorite [FO]- (g) -108.90 -108.73 ± 0.48 kJ/mol 34.99835 ± 0.00030 12763-66-5*0 Hydrogen chloride HCl (aq, 600 H2O) -166.454 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*834 Bromoxyl radical BrO (g) 131.12 123.59 ± 0.29 kJ/mol 95.9034 ± 0.0010 15656-19-6*0 Hydroxyamidogen HNOH (g, trans) 101.5 94.7 ± 1.0 kJ/mol 32.02202 ± 0.00034 13940-32-4*1 Nitrate [NO3]- (g) -300.25 -306.72 ± 0.61 kJ/mol 62.00549 ± 0.00090 14797-55-8*0 Water H2O (l) -285.828 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*590 Formyl anion [HCO]- (g) 11.62 12.01 ± 0.43 kJ/mol 29.01859 ± 0.00086 57340-31-5*0 Propyl CH3CH2CH2 (g) 117.92 100.81 ± 0.61 kJ/mol 43.0877 ± 0.0024 2143-61-5*0 2-Propynylidyne CCCH (g) 717.95 722.30 ± 0.81 kJ/mol 37.0400 ± 0.0024 53590-28-6*0 Dicarbon monoxide CCO (g, singlet) 454.95 459.28 ± 0.88 kJ/mol 40.0208 ± 0.0016 12071-23-7*2 Methanetetraylbisamidogen NCN (g) 450.39 450.80 ± 0.68 kJ/mol 40.02418 ± 0.00081 2669-76-3*0 Methylene bromide CH2Br2 (g) 24.9 3.5 ± 1.1 kJ/mol 173.8346 ± 0.0022 74-95-3*0 2-Fluoroethanol FCH2CH2OH (g) -406.8 -424.0 ± 1.1 kJ/mol 64.0589 ± 0.0017 371-62-0*0 Phenide [C6H5]- (g) 244.70 231.79 ± 0.43 kJ/mol 77.1044 ± 0.0048 30922-78-2*0 Bromobenzene C6H5Br (g) 126.5 104.5 ± 1.3 kJ/mol 157.0079 ± 0.0049 108-86-1*0 Hydrogen bromide HBr (aq) -120.80 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*800 Iodine monochloride ICl (g) 19.024 17.391 ± 0.013 kJ/mol 162.35717 ± 0.00090 7790-99-0*0 Iodotrifluoromethane CF3I (g) -583.99 -589.87 ± 0.54 kJ/mol 195.91038 ± 0.00080 2314-97-8*0 Nitrogen atom cation N+ (g) 1872.906 1875.687 ± 0.024 kJ/mol 14.006191 ± 0.000070 14158-23-7*0 Azido radical NNN (g) 452.24 449.65 ± 0.58 kJ/mol 42.02022 ± 0.00021 12596-60-0*0 Trinitrogen cation [NNN]+ (g) 1519.39 1516.86 ± 0.87 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) 1238.307 1241.586 ± 0.026 kJ/mol 28.00955 ± 0.00085 12144-04-6*0 Nitrosyl ion [NO]+ (g) 984.485 984.480 ± 0.065 kJ/mol 30.00559 ± 0.00031 14452-93-8*0 Nitroxyl H2NO (g) 71.34 64.73 ± 0.85 kJ/mol 32.02202 ± 0.00034 13408-29-2*0 Hydrazoic acid HNNN (g) 297.92 291.62 ± 0.48 kJ/mol 43.02816 ± 0.00022 7782-79-8*0 Ethonium [C2H7]+ (g, bridged C2) 874.54 858.27 ± 0.61 kJ/mol 31.0764 ± 0.0017 24669-33-8*1 Acetylium [CH3CO]+ (g) 667.18 660.02 ± 0.65 kJ/mol 43.0441 ± 0.0016 15762-07-9*0 Hydroxymethylene HCOH (g, trans) 112.40 108.63 ± 0.33 kJ/mol 30.02598 ± 0.00087 19710-56-6*1 Carbonic acid C(O)(OH)2 (g, cis-cis) -602.78 -612.95 ± 0.79 kJ/mol 62.0248 ± 0.0012 463-79-6*1 1-Butene CH2CHCH2CH3 (g) 20.88 -0.08 ± 0.38 kJ/mol 56.1063 ± 0.0032 106-98-9*0 n-Hexane CH3CH2CH2CH2CH2CH3 (g) -130.05 -166.93 ± 0.34 kJ/mol 86.1754 ± 0.0049 110-54-3*0 1-Hydroxyethylium [CH3CHOH]+ (g, anti) 609.14 594.72 ± 0.39 kJ/mol 45.0600 ± 0.0017 18682-96-7*1 Ethoxy CH3CH2O (g, A 2A') 5.38 -9.05 ± 0.51 kJ/mol 45.0605 ± 0.0017 2154-50-9*52 Dicarbon monoxide CCO (g, triplet) 376.30 380.34 ± 0.97 kJ/mol 40.0208 ± 0.0016 12071-23-7*1 Formic acid HC(O)OH (g, anti) -354.76 -362.00 ± 0.38 kJ/mol 46.0254 ± 0.0010 64-18-6*2 Formyloxidanyl HC(O)O (g, 2A1) -124.76 -126.42 ± 0.55 kJ/mol 45.0174 ± 0.0010 16499-21-1*1 Formate [HC(O)O]- (g) -462.11 -465.75 ± 0.55 kJ/mol 45.0180 ± 0.0010 71-47-6*0 Chlorodifluoromethane CHClF2 (g) -476.5 -482.6 ± 1.2 kJ/mol 86.4681 ± 0.0012 75-45-6*0 Fluoromethylene CHF (g, singlet) 148.26 148.54 ± 0.44 kJ/mol 32.01704 ± 0.00080 13453-52-6*2 Fluoroformyl FCO (g) -176.70 -176.12 ± 0.38 kJ/mol 47.00850 ± 0.00085 1871-24-5*0 Benzaldehyde C6H5C(O)H (g) -19.16 -36.96 ± 0.92 kJ/mol 106.1219 ± 0.0056 100-52-7*0 Chlorobenzene C6H5Cl (g) 67.13 52.18 ± 0.61 kJ/mol 112.5566 ± 0.0049 108-90-7*0 Hydrogen chloride HCl (aq) -166.994 ± 0.023 kJ/mol 36.46064 ± 0.00090 7647-01-0*800 Bromonium [HBrH]+ (g) 925.4 914.7 ± 1.2 kJ/mol 81.9193 ± 0.0010 36658-54-5*0 Hydrogen peroxide cation [H2O2]+ (g, trans) 896.87 889.89 ± 0.57 kJ/mol 34.01413 ± 0.00062 12325-10-9*1 Amide [NH2]- (g) 114.88 112.00 ± 0.33 kJ/mol 16.02317 ± 0.00016 17655-31-1*0 Hydrazine H2NNH2 (g) 111.84 97.68 ± 0.49 kJ/mol 32.04524 ± 0.00031 302-01-2*0 Fluoronium [HFH]+ (g) 774.42 771.47 ± 0.85 kJ/mol 21.01373 ± 0.00014 12206-67-6*0 Methanide [CH3]- (g) 146.05 142.61 ± 0.91 kJ/mol 15.03507 ± 0.00083 15194-58-8*0 Trioxidane HOOOH (g, trans) -81.43 -90.27 ± 0.70 kJ/mol 50.01408 ± 0.00091 14699-99-1*1 Ethylidene CH3CH (g, triplet) 361.45 354.45 ± 0.82 kJ/mol 28.0532 ± 0.0016 4218-50-2*1 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) 262.90 252.56 ± 0.71 kJ/mol 41.0718 ± 0.0024 15552-77-9*0 Isobutene CH2C(CH3)2 (g) 3.92 -17.15 ± 0.44 kJ/mol 56.1063 ± 0.0032 115-11-7*0 trans-2-Butene CH3CHCHCH3 (g, trans) 9.26 -11.30 ± 0.41 kJ/mol 56.1063 ± 0.0032 624-64-6*0 cis-2-Butene CH3CHCHCH3 (g, cis) 13.95 -7.32 ± 0.42 kJ/mol 56.1063 ± 0.0032 590-18-1*0 1,3-Butadiene CH2CHCHCH2 (g) 125.05 110.57 ± 0.42 kJ/mol 54.0904 ± 0.0032 106-99-0*0 Cyclopentane CH2(CH2CH2CH2CH2) (g) -45.01 -77.58 ± 0.44 kJ/mol 70.1329 ± 0.0041 287-92-3*0 1,3-Cyclopentadiene CH2(CHCHCHCH) (g) 149.89 132.77 ± 0.76 kJ/mol 66.1011 ± 0.0040 542-92-7*0 1-Hydroxyethyl CH3CHOH (g, gauche-syn) -40.66 -54.13 ± 0.86 kJ/mol 45.0605 ± 0.0017 2348-46-1*2 Protonated oxirane [(CH2CH2)OH]+ (g) 725.29 709.12 ± 0.64 kJ/mol 45.0600 ± 0.0017 *38607-31-7*0 Oxoethenyl HCCO (g) 176.85 177.96 ± 0.60 kJ/mol 41.0287 ± 0.0016 51095-15-9*0 Methanediol CH2(OH)2 (g, conrot gauche) -379.05 -393.25 ± 0.95 kJ/mol 48.0413 ± 0.0010 463-57-0*1 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) -344.75 -357.80 ± 0.58 kJ/mol 60.0520 ± 0.0017 107-31-3*1 Trioxidanide [HOOO]- (g, gauche) -121.0 -124.0 ± 1.4 kJ/mol 49.00669 ± 0.00090 89965-38-8*2 Difluorodichloromethane CF2Cl2 (g) -490.69 -495.46 ± 0.97 kJ/mol 120.9129 ± 0.0020 75-71-8*0 Fluorodichloromethane CHFCl2 (g) -278.9 -284.3 ± 1.2 kJ/mol 102.9224 ± 0.0020 75-43-4*0 Trifluoromethylium [CF3]+ (g) 409.00 405.93 ± 0.51 kJ/mol 69.00536 ± 0.00080 18851-76-8*0 Methyl nitrite CH3ONO (g, cis) -55.46 -67.24 ± 0.46 kJ/mol 61.0401 ± 0.0010 624-91-9*2 Dichlorine monoxide ClOCl (g) 79.76 77.95 ± 0.36 kJ/mol 86.9048 ± 0.0018 7791-21-1*0 Chlorine peroxide ClOOCl (g) 134.51 131.28 ± 0.56 kJ/mol 102.9042 ± 0.0019 12292-23-8*0 Iodoxyl radical IO (g) 127.0 125.0 ± 1.1 kJ/mol 142.90387 ± 0.00030 14696-98-1*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) 90.72 86.15 ± 0.15 kJ/mol 76.01168 ± 0.00091 10544-73-7*0 Ammonium [NH4]+ (g) 643.05 631.74 ± 0.21 kJ/mol 18.03795 ± 0.00029 14798-03-9*0 Chloronium [HClH]+ (g) 881.29 878.19 ± 0.97 kJ/mol 37.46803 ± 0.00091 36658-55-6*0 Ammonium [NH4]+ (aq) -133.077 ± 0.056 kJ/mol 18.03795 ± 0.00029 14798-03-9*800 Hydrazyl N2H3 (g) 235.28 224.62 ± 0.83 kJ/mol 31.03730 ± 0.00025 13598-46-4*0 Dioxygen difluoride FOOF (g) 33.66 29.94 ± 0.50 kJ/mol 69.99561 ± 0.00060 7783-44-0*0 Ethylidene CH3CH (g, singlet) 373.93 366.70 ± 0.86 kJ/mol 28.0532 ± 0.0016 4218-50-2*2 Hydrogen isocyanide cation [HNC]+ (g) 1352.9 1352.8 ± 1.2 kJ/mol 27.02483 ± 0.00081 74158-11-5*0 Propargylenide [HCCCH]- (g, transoid 2B) 434.6 437.1 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*1 2-Hydroxyethyl CH2CH2OH (g, gauche-anti) -10.04 -22.68 ± 0.85 kJ/mol 45.0605 ± 0.0017 4422-54-2*2 Dimethyl ether CH3OCH3 (g) -166.50 -184.01 ± 0.44 kJ/mol 46.0684 ± 0.0017 115-10-6*0 Methanediol CH2(OH)2 (g, disrot gauche) -368.51 -381.66 ± 0.99 kJ/mol 48.0413 ± 0.0010 463-57-0*2 Dichloride [Cl2]- (g) -230.4 -229.4 ± 1.4 kJ/mol 70.9059 ± 0.0018 12595-89-0*0 Chlorine dioxide OClO (g) 101.03 98.56 ± 0.30 kJ/mol 67.4515 ± 0.0011 10049-04-4*0 Hydroperoxonium [H2OOH]+ (g, trans) 738.17 727.91 ± 0.98 kJ/mol 35.02207 ± 0.00064 70850-26-9*1 Formyl fluoride HFCO (g) -378.72 -382.31 ± 0.33 kJ/mol 48.01644 ± 0.00086 1493-02-3*0 Nitric acid HNO3 (aq) -206.63 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*800 Hydrogen fluoride HF (aq, 20 H2O) -321.06 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*818 Oxoammoniumyl [HNO]+ (g) 1092.61 1089.69 ± 0.67 kJ/mol 31.01353 ± 0.00032 63559-87-5*0 Difluoride [F2]- (g) -290.8 -290.0 ± 1.4 kJ/mol 37.9973550 ± 0.0000010 12184-85-9*0 Peroxynitrous acid HOONO (g, trans, perp) 7.67 0.59 ± 0.40 kJ/mol 63.01288 ± 0.00091 14691-52-2*1 Vinylidene CCH2 (g) 411.28 412.20 ± 0.33 kJ/mol 26.0373 ± 0.0016 2143-69-3*0 Ethylidyne CH3C (g) 508.58 504.88 ± 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 Iminomethyl cation [HCNH]+ (g) 953.3 949.3 ± 1.5 kJ/mol 28.03277 ± 0.00082 196216-36-1*0 Chlorine superoxide ClOO (g) 103.82 102.73 ± 0.37 kJ/mol 67.4515 ± 0.0011 17376-09-9*0 Water dimer (H2O)2 (g) -491.081 -499.121 ± 0.053 kJ/mol 36.03056 ± 0.00066 25655-83-8*0 iso-Propylium [CH3CHCH3]+ (g) 822.88 805.62 ± 0.26 kJ/mol 43.0871 ± 0.0024 19252-53-0*0 Trioxidane HOOOH (g, cis) -72.03 -80.52 ± 0.81 kJ/mol 50.01408 ± 0.00091 14699-99-1*2 1-Propenyl CH3CHCH (g, cis) 277.98 267.19 ± 0.79 kJ/mol 41.0718 ± 0.0024 6067-68-1*2 1-Propynyl CH3CC (g) 529.01 526.65 ± 0.81 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 2-Butyne CH3CCCH3 (g) 158.96 146.00 ± 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) -119.22 -153.27 ± 0.44 kJ/mol 72.1488 ± 0.0041 78-78-4*0 Chlorine fluoride ClF (g) -55.612 -55.707 ± 0.055 kJ/mol 54.45110 ± 0.00090 7790-89-8*0 2-Hydroxyethyl CH2CH2OH (g, staggered-anti) -5.1 -17.5 ± 1.2 kJ/mol 45.0605 ± 0.0017 4422-54-2*3 Vinoxy CH2CHO (g) 22.46 15.61 ± 0.77 kJ/mol 43.0446 ± 0.0016 6912-06-7*0 Acetyl anion [CH3CO]- (g) -43.8 -49.4 ± 1.3 kJ/mol 43.0452 ± 0.0016 78944-68-0*0 Ketene CH2CO (g, triplet) 182.5 177.5 ± 1.1 kJ/mol 42.0367 ± 0.0016 463-51-4*1 Formic acid HC(O)OH (g) -371.12 -378.42 ± 0.22 kJ/mol 46.0254 ± 0.0010 64-18-6*0 Hydroxyformyl HOCO (g, cis) -174.04 -177.07 ± 0.51 kJ/mol 45.0174 ± 0.0010 2564-86-5*2 Hydroxyformyl anion [HOCO]- (g, cis) -319.36 -322.13 ± 0.58 kJ/mol 45.0180 ± 0.0010 78944-70-4*2 Fluorotrichloromethane CCl3F (g) -286.9 -290.1 ± 1.2 kJ/mol 137.3672 ± 0.0028 75-69-4*0 Bromotrichloromethane CCl3Br (g) -33.82 -42.97 ± 0.71 kJ/mol 198.2728 ± 0.0030 75-62-7*0 Difluoromethylene CF2 (g) -193.99 -193.51 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*0 Fluoromethylene CHF (g, triplet) 210.12 210.45 ± 0.68 kJ/mol 32.01704 ± 0.00080 13453-52-6*1 Hexafluoroethane CF3CF3 (g) -1334.5 -1342.8 ± 1.5 kJ/mol 138.0118 ± 0.0016 76-16-4*0 1,1-Difluoroethane CHF2CH3 (g) -489.09 -502.81 ± 0.65 kJ/mol 66.0500 ± 0.0016 75-37-6*0 2-Hydrotrioxy OO(H)O (g) 300.9 295.2 ± 1.1 kJ/mol 49.00614 ± 0.00090 *12500-78-6*0 1,1-Difluoroethene CH2CF2 (g) -343.72 -350.78 ± 0.85 kJ/mol 64.0341 ± 0.0016 75-38-7*0 Tricarbon dioxide OCCCO (g) -96.2 -94.1 ± 1.2 kJ/mol 68.0309 ± 0.0025 504-64-3*0 Iodobenzene C6H5I (g) 177.6 161.6 ± 1.0 kJ/mol 204.0084 ± 0.0048 591-50-4*0 Iodine monobromide IBr (g) 49.717 40.770 ± 0.067 kJ/mol 206.8085 ± 0.0010 7789-33-5*0 Nitrosyl nitrite ONONO (g, sym) 92.6 87.5 ± 1.2 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 H2NN (g) 307.99 300.93 ± 0.75 kJ/mol 30.02936 ± 0.00020 28647-38-3*0 Nitryl hydride HN(O)O (g) -37.2 -44.2 ± 1.5 kJ/mol 47.01348 ± 0.00061 90266-90-3*0 Carbon atom cation C+ (g) 1797.853 1803.451 ± 0.050 kJ/mol 12.01015 ± 0.00080 14067-05-1*0 Methyliumyl [CH2]+ (g) 1393.09 1393.95 ± 0.13 kJ/mol 14.02603 ± 0.00081 15091-72-2*0 Oxygen atom O (g, singlet) 436.666 438.523 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*2 Methyliumylidene [CH]+ (g) 1619.758 1623.102 ± 0.057 kJ/mol 13.01809 ± 0.00080 24361-82-8*0 Methylidyne anion [CH]- (g) 475.47 478.79 ± 0.91 kJ/mol 13.01919 ± 0.00080 28604-54-8*0 Ozonide [OOO]- (g) -58.48 -60.83 ± 0.21 kJ/mol 47.99875 ± 0.00090 12596-80-4*0 (E)-Iminomethyl HCNH (g, trans) 275.92 272.30 ± 0.84 kJ/mol 28.03332 ± 0.00082 54980-10-8*0 Nitrilomethylium [CN]+ (g) 1778.3 1781.8 ± 1.2 kJ/mol 26.01689 ± 0.00080 12539-57-0*0 Fluoroacetylene HCCF (g) 104.73 105.44 ± 0.41 kJ/mol 44.0277 ± 0.0016 2713-09-9*0 Chloroacetylene HCCCl (g) 228.3 229.2 ± 1.1 kJ/mol 60.4820 ± 0.0018 593-63-5*0 Methanol cation [CH3OH]+ (g) 857.08 846.75 ± 0.33 kJ/mol 32.04131 ± 0.00090 12538-91-9*0 Methyloxonium [CH3OH2]+ (g) 589.9 575.7 ± 1.2 kJ/mol 33.04925 ± 0.00092 17836-08-7*0 Hydroxyde [OH]- (aq) -230.012 ± 0.029 kJ/mol 17.00789 ± 0.00031 14280-30-9*800 Oxidanylium [OH]+ (g) 1293.189 1293.218 ± 0.035 kJ/mol 17.00679 ± 0.00031 12259-29-9*0 Carbonic acid C(O)(OH)2 (g, cis-trans) -596.92 -607.04 ± 0.85 kJ/mol 62.0248 ± 0.0012 463-79-6*2 Carbonic acid C(O)(OH)2 (g, trans-trans) -561.70 -570.55 ± 0.98 kJ/mol 62.0248 ± 0.0012 463-79-6*3 1,2-Propadienyl anion [CH2CCH]- (g) 265.85 262.65 ± 0.72 kJ/mol 39.0565 ± 0.0024 64066-06-4*0 1-Propynyl anion [CH3CC]- (g) 265.06 261.60 ± 0.81 kJ/mol 39.0565 ± 0.0024 36147-87-2*0 Bromine monochloride BrCl (g) 21.880 14.437 ± 0.060 kJ/mol 115.3567 ± 0.0013 13863-41-7*0 neo-Pentane C(CH3)4 (g) -134.64 -167.52 ± 0.41 kJ/mol 72.1488 ± 0.0041 463-82-1*0 Cyclohexane CH2(CH2CH2CH2CH2CH2) (g) -83.59 -123.15 ± 0.36 kJ/mol 84.1595 ± 0.0049 110-82-7*0 2-Hydroxyethylium [CH2CH2OH]+ (g, staggered-anti) 1019.6 1006.8 ± 1.6 kJ/mol 45.0600 ± 0.0017 38607-31-7*3 Vinyl alcohol CH2CHOH (g, syn) -112.55 -123.86 ± 0.84 kJ/mol 44.0526 ± 0.0017 557-75-5*1 Ethynol HCCOH (g) 94.9 92.8 ± 1.3 kJ/mol 42.0367 ± 0.0016 32038-79-2*0 Hydroxyformyl anion [HOCO]- (g, trans) -313.53 -315.48 ± 0.59 kJ/mol 45.0180 ± 0.0010 78944-70-4*1 1-Propanol CH3CH2CH2OH (g) -231.38 -255.22 ± 0.26 kJ/mol 60.0950 ± 0.0025 71-23-8*0 2-Propanol CH3CH(OH)CH3 (g) -248.77 -272.86 ± 0.36 kJ/mol 60.0950 ± 0.0025 67-63-0*0 Acetic acid CH3C(O)OH (g, syn) -418.38 -432.50 ± 0.54 kJ/mol 60.0520 ± 0.0017 64-19-7*1 Ethylene glycol (CH2OH)2 (g) -369.80 -389.43 ± 0.49 kJ/mol 62.0678 ± 0.0018 107-21-1*0 Fluorochloromethane CH2FCl (g) -256.4 -263.6 ± 1.3 kJ/mol 68.4777 ± 0.0012 593-70-4*0 Chlorine atom cation Cl+ (g) 1370.806 1372.602 ± 0.0011 kJ/mol 35.45215 ± 0.00090 24203-47-2*0 Trioxidanyl HOOO (g, trans) 25.31 23.33 ± 0.13 kJ/mol 49.00614 ± 0.00090 12500-78-6*1 1,3-Butadiyne HCCCCH (g) 458.57 460.29 ± 0.86 kJ/mol 50.0587 ± 0.0032 460-12-8*0 Toluene C6H5CH3 (g) 73.56 50.27 ± 0.36 kJ/mol 92.1384 ± 0.0056 108-88-3*0 Fluorobenzene cation [C6H5F]+ (g) 788.69 774.00 ± 0.83 kJ/mol 96.1018 ± 0.0048 34468-25-2*0 Nitromethyl CH2N(O)O (g) 138.8 129.4 ± 1.2 kJ/mol 60.0321 ± 0.0010 16787-85-2*0 Dinitrogen pentoxide O2NONO2 (g) 24.41 14.84 ± 0.35 kJ/mol 108.0105 ± 0.0015 10102-03-1*0 Water anion [(H)(OH)]- (g, vdW ?) 30.5 29.0 ± 2.5 kJ/mol 18.01583 ± 0.00033 12259-30-2*100 Bromonium Br+ (g) 1257.777 1251.714 ± 0.056 kJ/mol 79.90345 ± 0.00100 22541-56-6*0 Peroxynitric acid HOON(O)O (g) -42.6 -54.1 ± 1.3 kJ/mol 79.0123 ± 0.0012 26404-66-0*0 Nitrosyl chloride ClNO (g) 54.451 52.549 ± 0.067 kJ/mol 65.45884 ± 0.00095 2696-92-6*0 Carbon dioxide CO2 (g, triplet) 49.48 50.33 ± 0.99 kJ/mol 44.00950 ± 0.00100 124-38-9*1 Methane cation [CH4]+ (g) 1150.84 1144.45 ± 0.25 kJ/mol 16.04191 ± 0.00085 20741-88-2*0 Ethonium [C2H7]+ (g) 874.54 858.30 ± 0.61 kJ/mol 31.0764 ± 0.0017 24669-33-8*0 Vinyl anion [C2H3]- (g) 237.24 232.82 ± 0.84 kJ/mol 27.0458 ± 0.0016 25012-81-1*0 Acetylene cation [HCCH]+ (g) 1328.85 1328.18 ± 0.14 kJ/mol 26.0367 ± 0.0016 25641-79-6*0 Bromide Br- (aq) -120.80 ± 0.16 kJ/mol 79.90455 ± 0.00100 24959-67-9*800 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) 456.8 452.8 ± 1.4 kJ/mol 27.0458 ± 0.0016 117768-70-4*0 Vinylidene anion [CCH2]- (g) 364.15 363.96 ± 0.62 kJ/mol 26.0378 ± 0.0016 66295-36-1*0 Iodide I- (aq) -56.829 ± 0.089 kJ/mol 126.905019 ± 0.000030 20461-54-5*800 Ethynylium [C2H]+ (g) 1687.59 1690.93 ± 0.16 kJ/mol 25.0288 ± 0.0016 16456-59-0*0 Aminomethyl CH2NH2 (g) 159.40 148.51 ± 0.58 kJ/mol 30.04920 ± 0.00085 10507-29-6*0 Methylamidogen anion [CH3NH]- (g) 145.99 134.64 ± 0.76 kJ/mol 30.04975 ± 0.00085 54448-39-4*0 Methyleneamidogen H2CN (g) 242.22 238.56 ± 0.85 kJ/mol 28.03332 ± 0.00082 15845-29-1*0 (Z)-Iminomethyl HCNH (g, cis) 294.5 291.0 ± 1.2 kJ/mol 28.03332 ± 0.00082 54980-11-9*0 Methyloxoniumylidene [CH3O]+ (g) 1062.43 1054.62 ± 0.72 kJ/mol 31.03337 ± 0.00088 58157-09-8*0 Hydroxymethylene HCOH (g, cis) 130.86 127.11 ± 0.34 kJ/mol 30.02598 ± 0.00087 19710-56-6*2 Hydroxymethylene cation [HCOH]+ (g, trans) 971.9 968.3 ± 1.3 kJ/mol 30.02543 ± 0.00087 135395-06-1*1 Hydrogen difluoride cation [FFH]+ (g) 1173.5 1170.6 ± 1.7 kJ/mol 39.004198 ± 0.000070 *126950-54-7*0 Oxoniumyl ion [H2O]+ (g) 978.472 975.569 ± 0.029 kJ/mol 18.01473 ± 0.00033 56583-62-1*0 Isoformyl COH (g) 217.30 217.69 ± 0.67 kJ/mol 29.01804 ± 0.00086 71080-92-7*0 Azide ion [NNN]- (g) 193.64 190.05 ± 0.89 kJ/mol 42.02077 ± 0.00021 14343-69-2*0 1-Propenyl CH3CHCH (g, trans) 280.02 269.21 ± 0.81 kJ/mol 41.0718 ± 0.0024 6067-68-1*1 Cyclopropene CH2(CHCH) (g) 292.54 283.81 ± 0.54 kJ/mol 40.0639 ± 0.0024 2781-85-3*0 Cyclobutane CH2(CH2CH2CH2) (g) 52.17 27.63 ± 0.47 kJ/mol 56.1063 ± 0.0032 287-23-0*0 Dioxidenium [HO2]+ (g) 1110.87 1107.98 ± 0.11 kJ/mol 33.00619 ± 0.00060 12207-52-2*0 n-Heptane CH3(CH2)5CH3 (g) -145.65 -187.52 ± 0.48 kJ/mol 100.2019 ± 0.0057 142-82-5*0 n-Octane CH3(CH2)6CH3 (g) -161.43 -208.26 ± 0.67 kJ/mol 114.2285 ± 0.0065 111-65-9*0 1-Hydroxyethylium [CH3CHOH]+ (g, syn) 611.1 596.7 ± 1.2 kJ/mol 45.0600 ± 0.0017 18682-96-7*2 1H-Triazirin-1-yl N(NN) (g) 585.9 584.1 ± 2.0 kJ/mol 42.02022 ± 0.00021 912535-95-6*0 Vinyl alcohol CH2CHOH (g, anti) -108.10 -118.62 ± 0.88 kJ/mol 44.0526 ± 0.0017 557-75-5*2 Vinyl alcohol cation [CH2CHOH]+ (g, anti) 779.2 768.0 ± 1.2 kJ/mol 44.0520 ± 0.0017 57239-63-1*2 Oxiranyl CH2(CHO) (g) 172.8 164.5 ± 1.4 kJ/mol 43.0446 ± 0.0016 31586-84-2*0 Oxiranylium [CH2(CHO)]+ (g, singlet) 901.6 893.6 ± 1.4 kJ/mol 43.0441 ± 0.0016 57789-76-1*2 C=O=C COC (g, triplet) 653.3 657.6 ± 2.2 kJ/mol 40.0208 ± 0.0016 *12071-23-7*1 C=O=C COC (g, singlet) 721.5 725.9 ± 1.6 kJ/mol 40.0208 ± 0.0016 *12071-23-7*2 Oxirene O(CHCH) (g, singlet) 272.81 272.12 ± 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) 721.86 714.77 ± 0.26 kJ/mol 46.0248 ± 0.0010 50614-05-6*1 Dioxirane CH2(OO) (g) 9.41 1.74 ± 0.54 kJ/mol 46.0254 ± 0.0010 157-26-6*0 Formyloxidanyl HC(O)O (g, 2B2) -120.94 -124.29 ± 0.55 kJ/mol 45.0174 ± 0.0010 16499-21-1*2 Isofulminic acid HCNO (g) 170.91 169.45 ± 0.49 kJ/mol 43.02478 ± 0.00086 51060-05-0*0 Trioxidanylium [HOOO]+ (g, trans) 1070.2 1063.9 ± 1.3 kJ/mol 49.00559 ± 0.00090 74241-49-9*1 Methyl formate HC(O)OCH3 (g, anti-eclipsed) -324.6 -337.1 ± 1.6 kJ/mol 60.0520 ± 0.0017 107-31-3*2 Methyl iodide CH3I (l) -12.20 ± 0.19 kJ/mol 141.93899 ± 0.00083 74-88-4*590 Difluoromethylene CF2 (g, triplet) 43.20 43.92 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*1 Difluoromethylene CF2 (g, singlet) -193.99 -193.51 ± 0.38 kJ/mol 50.00751 ± 0.00080 2154-59-8*2 Ethyl iodide CH3CH2I (l) -9.40 -39.26 ± 0.49 kJ/mol 155.9656 ± 0.0016 75-03-6*500 Fluoro(fluorooxy)methylene FCOF (g, cis) -135.8 -137.0 ± 2.0 kJ/mol 66.00691 ± 0.00085 479587-30-9*2 Dibromophosgene COBr2 (g) -97.98 -113.91 ± 0.37 kJ/mol 187.8181 ± 0.0022 593-95-3*0 Fluoride F- (aq) -334.51 ± 0.17 kJ/mol 18.99895178 ± 0.00000050 16984-48-8*800 Benzene C6H6 (cr,l) 50.72 49.17 ± 0.25 kJ/mol 78.1118 ± 0.0048 71-43-2*500 Benzoyl fluoride C6H5C(O)F (g) -288.0 -304.4 ± 1.5 kJ/mol 124.1124 ± 0.0056 455-32-3*0 (E)-Diazene cation [HNNH]+ (g, trans) 1132.58 1125.67 ± 0.67 kJ/mol 30.02881 ± 0.00020 59952-06-6*0 (E)-Diazene anion [HNNH]- (g, trans) 269.3 262.4 ± 1.7 kJ/mol 30.02991 ± 0.00020 *59952-06-6*0 (Z)-Diazene HNNH (g, cis) 229.21 222.08 ± 0.64 kJ/mol 30.02936 ± 0.00020 15626-42-3*0 Diazenyl N2H (g) 252.25 249.33 ± 0.48 kJ/mol 29.02142 ± 0.00016 36882-13-0*0 Hydroxyaminiumyl [NOH]+ (g) 1160.6 1157.7 ± 1.3 kJ/mol 31.01353 ± 0.00032 63559-88-6*0 Hydroxyamidogen HNOH (g, cis) 123.5 117.0 ± 1.4 kJ/mol 32.02202 ± 0.00034 13940-32-4*2 Hydroxyaminylium [HNOH]+ (g, trans) 1020.2 1013.0 ± 2.0 kJ/mol 32.02147 ± 0.00034 66097-71-0*1 Triiodide ion [I3]- (aq) -51.36 ± 0.80 kJ/mol 380.713959 ± 0.000090 14900-04-0*800 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) -0.35 -7.40 ± 0.53 kJ/mol 63.01288 ± 0.00091 14691-52-2*2 Dioxiranylidene C(OO) (g) 190.6 191.4 ± 1.3 kJ/mol 44.00950 ± 0.00100 138832-57-2*0 Deuterium atom D (g) 219.804 221.717 ± 0.000 kJ/mol 2.01410177800 ± 0.00000000040 16873-17-9*0 Hypoiodite [IO]- (g) -102.5 -104.4 ± 1.2 kJ/mol 142.90442 ± 0.00030 15065-65-3*0 Methylene anion [CH2]- (g) 328.48 328.91 ± 0.51 kJ/mol 14.02713 ± 0.00081 50928-07-9*0 Methylidyne CH (g, doublet) 592.78 596.12 ± 0.11 kJ/mol 13.01864 ± 0.00080 3315-37-5*1 Hydrogen fluoride HF (aq, 40 H2O) -321.15 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*821 Ethylidyne CH3C (g, doublet) 508.58 504.88 ± 0.87 kJ/mol 27.0452 ± 0.0016 67624-57-1*1 Trioxodinitrate anion [ONNO2]- (g, vdW) -104.4 -108.4 ± 2.3 kJ/mol 76.01223 ± 0.00091 194856-62-7*100 Aminomethylium [CH2NH2]+ (g) 763.9 752.0 ± 1.8 kJ/mol 30.04865 ± 0.00085 488821-23-4*0 Methylamidogen CH3NH (g) 187.86 177.14 ± 0.61 kJ/mol 30.04920 ± 0.00085 15622-51-2*0 Aminomethylene HCNH2 (g) 246.6 238.8 ± 1.6 kJ/mol 29.04126 ± 0.00083 35430-17-2*0 Methylimidogen H3CN (g) 323.8 316.0 ± 1.6 kJ/mol 29.04126 ± 0.00083 27770-42-9*0 Methyleneamidogen anion [H2CN]- (g) 193.1 189.3 ± 1.1 kJ/mol 28.03387 ± 0.00082 28892-56-0*0 Aminomethylidyne CNH2 (g) 372.2 368.7 ± 1.4 kJ/mol 28.03332 ± 0.00082 84654-89-7*0 Hydrogen isocyanide HNC (g) 192.00 192.39 ± 0.38 kJ/mol 27.02538 ± 0.00081 6914-07-4*0 Cyanide [CN]- (g) 63.956 67.242 ± 0.095 kJ/mol 26.01799 ± 0.00080 57-12-5*0 Methyleneoxonium CH2OH2 (g) 154.6 146.3 ± 1.4 kJ/mol 32.04186 ± 0.00090 177788-17-9*0 Hydroxymethylene HCOH (g, gauche triplet) 219.0 216.1 ± 1.1 kJ/mol 30.02598 ± 0.00087 19710-56-6*3 Hydroxymethylene anion [HCOH]- (g, trans) 147.4 144.4 ± 1.4 kJ/mol 30.02653 ± 0.00087 207914-87-2*1 Dinitrogen tetraoxide O2NNO2 (g) 20.15 10.86 ± 0.14 kJ/mol 92.0111 ± 0.0012 10544-72-6*0 Hydroxymethyliumylidene [COH]+ (g) 986.13 987.77 ± 0.80 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) 856.87 838.65 ± 0.83 kJ/mol 43.0871 ± 0.0024 19252-52-9*0 Cyclopropyl CH(CH2CH2) (g) 302.8 290.2 ± 1.6 kJ/mol 41.0718 ± 0.0024 2417-82-5*0 Cycloprop-1-enyl CH2(CHC) (g) 528.11 523.53 ± 0.78 kJ/mol 39.0559 ± 0.0024 19528-44-0*0 Cycloprop-2-enyl CH(CHCH) (g) 491.03 486.42 ± 0.77 kJ/mol 39.0559 ± 0.0024 28933-84-8*0 Cyclopropenylidene C(CHCH) (g) 497.07 496.12 ± 0.47 kJ/mol 38.0480 ± 0.0024 16165-40-5*0 2-Propynylidyne anion [CCCH]- (g) 539.97 544.82 ± 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 n-Butyl CH3CH2CH2CH2 (g) 101.48 78.25 ± 0.98 kJ/mol 57.1143 ± 0.0033 2492-36-6*0 Methylcyclopropane CH3CH(CH2CH2) (g) 47.5 24.3 ± 1.3 kJ/mol 56.1063 ± 0.0032 594-11-6*0 Cyclobutene CH2(CH2CHCH) (g) 176.79 159.74 ± 0.93 kJ/mol 54.0904 ± 0.0032 822-35-5*0 Oxygen cation monohydrate [(HOH)O]+ (g) 1153.2 1147.7 ± 3.2 kJ/mol 34.01413 ± 0.00062 *31748-17-1*0 Oxygen anion monohydrate [(HOH)O]- (g) -239.1 -244.3 ± 3.0 kJ/mol 34.01523 ± 0.00062 31748-17-1*0 Vinyl alcohol cation [CH2CHOH]+ (g, syn) 787.30 776.18 ± 0.99 kJ/mol 44.0520 ± 0.0017 57239-63-1*1 Vinoxy cation [CH2CHO]+ (g, triplet) 1020.2 1013.2 ± 1.6 kJ/mol 43.0441 ± 0.0016 *35731-40-9*1 Vinoxide [CH2CHO]- (g) -153.55 -160.60 ± 0.77 kJ/mol 43.0452 ± 0.0016 35731-40-9*0 Acetic acid CH3C(O)OH (aq) -485.18 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*800 Ketene CH2CO (g, singlet) -45.45 -48.57 ± 0.13 kJ/mol 42.0367 ± 0.0016 463-51-4*2 COC vdW (CO)(C) (g, triplet) 589.8 598.6 ± 1.8 kJ/mol 40.0208 ± 0.0016 *12071-24-8*1 Oxirene O(CHCH) (g, c-triplet) 390.7 386.6 ± 2.7 kJ/mol 42.0367 ± 0.0016 157-18-6*12 Methylperoxy anion [CH3OO]- (g) -89.79 -99.94 ± 0.67 kJ/mol 47.0339 ± 0.0010 35683-44-4*0 Formyloxoniumylidene [HC(O)O]+ (g) 1016.9 1013.5 ± 1.2 kJ/mol 45.0169 ± 0.0010 54375-27-8*0 Dioxymethylene HCOO (g, trans) 363.6 361.2 ± 2.6 kJ/mol 45.0174 ± 0.0010 438586-67-5*1 Trioxidaniumyl [HOOOH]+ (g, t, t) 927.1 917.8 ± 1.3 kJ/mol 50.01353 ± 0.00091 161321-37-5*2 Cyanic acid HOCN (g) -12.21 -14.92 ± 0.49 kJ/mol 43.02478 ± 0.00086 420-05-3*0 Fulminic acid HONC (g) 235.37 233.67 ± 0.48 kJ/mol 43.02478 ± 0.00086 506-85-4*0 Isocyanate [NCO]- (g) -221.11 -221.33 ± 0.54 kJ/mol 42.01739 ± 0.00086 71000-82-3*0 Nitrosomethylidyne CNO (g) 389.4 390.7 ± 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 Dimethylamine (CH3)2NH (g) 5.91 -15.99 ± 0.67 kJ/mol 45.0837 ± 0.0017 124-40-3*0 Trimethylamine (CH3)3N (g) 4.48 -24.08 ± 0.63 kJ/mol 59.1103 ± 0.0025 75-50-3*0 Isocyanogen CNCN (g) 410.7 413.1 ± 1.6 kJ/mol 52.0349 ± 0.0016 83951-85-3*0 Diisocyanogen CNNC (g) 610.1 613.0 ± 1.7 kJ/mol 52.0349 ± 0.0016 78800-21-2*0 Fluorosyl ion [FO]+ (g) 1342.62 1342.57 ± 0.78 kJ/mol 34.99725 ± 0.00030 12763-67-6*0 Cyanoamidogen HNCN (g) 324.7 322.3 ± 1.7 kJ/mol 41.03212 ± 0.00082 12347-01-2*0 Oxywater (H2O)O (g) 65.0 58.5 ± 1.2 kJ/mol 34.01468 ± 0.00062 171363-09-0*0 Bromodichloromethane CHCl2Br (g) -38.6 -50.3 ± 1.3 kJ/mol 163.8280 ± 0.0022 75-27-4*0 Chlorous acid HOClO (g) 25.67 20.61 ± 0.67 kJ/mol 68.4594 ± 0.0011 13898-47-0*0 Difluorodibromomethane CF2Br2 (g) -366.7 -384.4 ± 1.4 kJ/mol 209.8155 ± 0.0022 75-61-6*0 Dichlorodibromomethane CCl2Br2 (g) 19.6 3.9 ± 1.5 kJ/mol 242.7241 ± 0.0028 594-18-3*0 Bromodifluoromethane CHF2Br (g) -410.92 -424.12 ± 0.49 kJ/mol 130.9194 ± 0.0013 1511-62-2*0 1,2-Difluoroethane CH2FCH2F (g) -434.51 -447.94 ± 0.86 kJ/mol 66.0500 ± 0.0016 624-72-6*0 2-Hydrotrioxy anion [OO(H)O]- (g) 27.6 21.9 ± 1.2 kJ/mol 49.00669 ± 0.00090 *89965-38-8*0 1,2-Difluoroacetylene FCCF (g) 2.45 5.27 ± 0.65 kJ/mol 62.0182 ± 0.0016 689-99-6*0 Fluoro(fluorooxy)methylene FCOF (g, trans) -38.9 -40.4 ± 1.9 kJ/mol 66.00691 ± 0.00085 479587-30-9*1 Chloroformyl ClCO (g) -21.93 -20.54 ± 0.49 kJ/mol 63.4628 ± 0.0012 2602-42-8*0 Phenylium [C6H5]+ (g, triplet) 1251.6 1239.4 ± 3.3 kJ/mol 77.1034 ± 0.0048 17333-73-2*1 Chlorobenzene cation [C6H5Cl]+ (g) 942.47 928.55 ± 0.61 kJ/mol 112.5561 ± 0.0049 55450-32-3*0 Chlorobenzene C6H5Cl (cr,l) 11.22 ± 0.59 kJ/mol 112.5566 ± 0.0049 108-90-7*500 Bromobenzene cation [C6H5Br]+ (g) 994.7 973.3 ± 1.3 kJ/mol 157.0074 ± 0.0049 55450-33-4*0 Iodobenzene C6H5I (cr,l) 112.7 112.8 ± 1.1 kJ/mol 204.0084 ± 0.0048 591-50-4*500 2-Hydrotrioxy cation [OO(H)O]+ (g) 1297.8 1291.2 ± 1.3 kJ/mol 49.00559 ± 0.00090 *74241-49-9*0 Methyl nitrite CH3ONO (g, cis-trans equilib) -55.46 -66.13 ± 0.46 kJ/mol 61.0401 ± 0.0010 624-91-9*0 1,2-Dichloroethane (CClH2)2 (g) -118.24 -130.18 ± 0.59 kJ/mol 98.9586 ± 0.0024 107-06-2*0 Carbon atom anion C- (g) 589.624 594.771 ± 0.050 kJ/mol 12.01125 ± 0.00080 14337-00-9*0 Chloride Cl- (aq) -166.994 ± 0.023 kJ/mol 35.45325 ± 0.00090 16887-00-6*800 Dioxymethylidyne COO (g) 298.6 299.9 ± 1.5 kJ/mol 44.00950 ± 0.00100 791121-04-5*0 Oxadiazirine O(NN) (g) 352.1 350.3 ± 1.4 kJ/mol 44.01288 ± 0.00033 227934-45-4*0 2-Cyclopropyn-1-ylidene C(CC) (g, triplet) 899.2 906.1 ± 1.5 kJ/mol 36.0321 ± 0.0024 102508-15-6*1 Propynylidyne cation [C(CC)]+ (g) 1948.3 1956.2 ± 2.0 kJ/mol 36.0316 ± 0.0024 154702-35-9*0 Ethylene cation [C2H4]+ (g) 1075.28 1068.07 ± 0.13 kJ/mol 28.0526 ± 0.0016 34470-02-5*0 Bifluoride [FHF]- (g) -709.1 -713.0 ± 1.7 kJ/mol 39.005295 ± 0.000070 18130-74-0*0 NON NON (g) 544.7 541.5 ± 1.5 kJ/mol 44.01288 ± 0.00033 227934-46-5*0 Iminomethyl anion [HCNH]- (g, trans) 238.9 235.1 ± 1.9 kJ/mol 28.03387 ± 0.00082 90623-30-6*1 Isoformyl anion [COH]- (g, triplet) 267.4 268.1 ± 1.6 kJ/mol 29.01859 ± 0.00086 81747-63-9*2 2-Propynylium [CH2CCH]+ (g) 1193.47 1190.66 ± 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 Propynylidene HCCCH (g, cis singlet) 597.6 599.3 ± 1.2 kJ/mol 38.0480 ± 0.0024 67152-18-5*3 Propenediylidene CHCHC (g) 796.2 797.4 ± 1.3 kJ/mol 38.0480 ± 0.0024 60731-11-5*0 Dioxygen anion [O2]- (g) -43.38 -42.74 ± 0.17 kJ/mol 31.99935 ± 0.00060 11062-77-4*0 Trifluoromethide [CF3]- (g) -637.7 -639.6 ± 1.6 kJ/mol 69.00646 ± 0.00080 54128-17-5*0 Hydrogen fluoride HF (aq, 22 H2O) -321.07 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*902 Cyclopentene CH2(CH2CHCHCH2) (g) 58.12 33.85 ± 0.45 kJ/mol 68.1170 ± 0.0040 142-29-0*0 Ethyloxoniumyl [CH3CH2OH]+ (g) 784.1 766.9 ± 1.5 kJ/mol 46.0679 ± 0.0017 34480-55-2*0 1-Hydroxyethylium [CH3CHOH]+ (g) 609.14 594.72 ± 0.39 kJ/mol 45.0600 ± 0.0017 18682-96-7*0 Acetaldehyde cation [CH3CHO]+ (g) 832.02 822.04 ± 0.29 kJ/mol 44.0520 ± 0.0017 36505-03-0*0 Oxiranylium [CH2(CHO)]+ (g, triplet) 1233.7 1226.7 ± 1.8 kJ/mol 43.0441 ± 0.0016 57789-76-1*1 Oxiranyl anion [CH2(CHO)]- (g) 121.4 113.3 ± 1.6 kJ/mol 43.0452 ± 0.0016 72722-59-9*0 Dibromine monoxide BrOBr (g) 120.9 104.4 ± 1.4 kJ/mol 175.8074 ± 0.0020 21308-80-5*0 Fluorochlorate [ClF]- (g) -255.99 -255.39 ± 0.80 kJ/mol 54.45165 ± 0.00090 12272-56-9*0 Ethynol anion [HCCO]- (g) -48.62 -47.37 ± 0.87 kJ/mol 41.0293 ± 0.0016 64066-01-9*0 Dicarbon monoxide anion [CCO]- (g) 153.8 157.5 ± 1.2 kJ/mol 40.0213 ± 0.0016 87191-88-6*0 Dicarbon monoxide cation [CCO]+ (g) 1433.5 1438.6 ± 1.8 kJ/mol 40.0203 ± 0.0016 12287-08-0*0 Hydroxyimidogen NOH (g) 217.45 214.57 ± 0.87 kJ/mol 31.01408 ± 0.00032 35337-59-8*0 COC vdW (CO)(C) (g, singlet) 727.2 735.5 ± 1.7 kJ/mol 40.0208 ± 0.0016 *12071-24-8*2 C=O-C cation [COC]+ (g, doublet) 1576.2 1583.3 ± 2.3 kJ/mol 40.0203 ± 0.0016 83483-98-1*1 C=O=C anion [COC]- (g) 551.0 554.7 ± 2.1 kJ/mol 40.0213 ± 0.0016 *87191-88-6*0 Aminylium [NH2]+ (g) 1266.55 1264.47 ± 0.12 kJ/mol 16.02207 ± 0.00016 15194-15-7*0 Formic acid cation [HC(O)OH]+ (g, anti) 723.8 716.7 ± 1.1 kJ/mol 46.0248 ± 0.0010 50614-05-6*2 Formic acid anion [HC(O)OH]- (g, syn) -255.6 -261.8 ± 1.7 kJ/mol 46.0259 ± 0.0010 19066-82-1*1 Nitrous acid HONO (g, cis) -71.37 -77.72 ± 0.29 kJ/mol 47.01348 ± 0.00061 7782-77-6*2 Peroxyhypochlorous acid HOOCl (g) 3.86 -1.42 ± 0.99 kJ/mol 68.4594 ± 0.0011 67952-07-2*0 OH-CO vdW complex (OH)(CO) (g, vdW) -80.30 -77.41 ± 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 -178.4 ± 2.2 kJ/mol 45.0174 ± 0.0010 *2564-83-2*100 Azidonitrene NNNN (g, Cs) 692.0 687.4 ± 1.4 kJ/mol 56.02696 ± 0.00028 147363-92-6*2 Isocyanic acid cation [HNCO]+ (g) 1003.03 1000.37 ± 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) -484.91 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*840 Acetyl chloride CH3C(O)Cl (l) -272.21 ± 0.33 kJ/mol 78.4973 ± 0.0019 75-36-5*500 Chlorosyl ion [ClO]+ (g) 1150.69 1150.53 ± 0.66 kJ/mol 51.45155 ± 0.00095 12301-79-0*0 (Formyloxy)methyl HC(O)OCH2 (g, syn) -148.7 -156.8 ± 1.5 kJ/mol 59.0440 ± 0.0017 3122-12-1*1 Glyoxal (CHO)2 (g, trans) -206.99 -212.63 ± 0.52 kJ/mol 58.0361 ± 0.0017 107-22-2*1 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 Diazomethyl HCNN (g) 472.8 470.2 ± 2.0 kJ/mol 41.03212 ± 0.00082 20813-32-5*0 Isocyanoamidogen HNNC (g) 492.7 490.7 ± 2.0 kJ/mol 41.03212 ± 0.00082 947408-73-3*0 Tetrachloromethane CCl4 (l) -109.53 -128.94 ± 0.65 kJ/mol 153.8215 ± 0.0037 56-23-5*500 Dioxygenyl ion monohydrate [(H2O)(O2)]+ (g) 828.6 821.5 ± 1.9 kJ/mol 50.01353 ± 0.00091 11083-61-7*0 Chloroform CCl3H (l) -133.87 ± 0.63 kJ/mol 119.3767 ± 0.0028 67-66-3*590 Chlorodibromomethane CHClBr2 (g) 18.1 -0.6 ± 3.4 kJ/mol 208.2793 ± 0.0023 124-48-1*0 Fluorotribromomethane CBr3F (g) -108.3 -132.3 ± 1.6 kJ/mol 270.7211 ± 0.0031 353-54-8*0 Chlorotribromomethane CBr3Cl (g) 76.0 53.1 ± 1.6 kJ/mol 287.1754 ± 0.0032 594-15-0*0 Hydrogen fluoride HF (aq, 35 H2O) -321.13 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*904 Hydroxydioxonitrate [HNO3]- (g) -191.2 -195.6 ± 2.9 kJ/mol 63.01343 ± 0.00091 58875-09-5*0 Chlorobromomethane CH2ClBr (g) -29.3 -43.3 ± 1.4 kJ/mol 129.3833 ± 0.0016 74-97-5*0 Nitryl ion [ONO]+ (g) 961.78 958.22 ± 0.20 kJ/mol 46.00499 ± 0.00060 14522-82-8*0 Ammonia NH3 (aq, undissoc) -80.886 ± 0.053 kJ/mol 17.03056 ± 0.00022 7664-41-7*1000 Fluoromethyliumylidene [CF]+ (g) 1122.61 1125.83 ± 0.48 kJ/mol 31.00855 ± 0.00080 33412-11-2*0 Fluoromethylene CHF (g) 148.26 148.54 ± 0.44 kJ/mol 32.01704 ± 0.00080 13453-52-6*0 Ethyl iodide CH3CH2I (g) 8.72 -7.16 ± 0.49 kJ/mol 155.9656 ± 0.0016 75-03-6*0 1,2-Dichloroacetylene ClCCCl (g) 230.9 234.2 ± 1.9 kJ/mol 94.9268 ± 0.0024 7572-29-4*0 1,2-Dibromoacetylene BrCCBr (g) 333.1 322.2 ± 3.6 kJ/mol 183.8294 ± 0.0026 624-61-3*0 Fluoro(fluorooxy)methylene FCOF (g, vdW triplet) -101.0 -99.2 ± 2.0 kJ/mol 66.00691 ± 0.00085 479587-30-9*101 Fluorooxomethylium [FCO]+ (g) 724.2 723.9 ± 1.4 kJ/mol 47.00795 ± 0.00085 38264-00-5*0 Fluoroisoformyl COF (g) -39.2 -33.8 ± 1.7 kJ/mol 47.00850 ± 0.00085 *1871-24-5*0 Formyl chloride HClCO (g) -179.61 -182.81 ± 0.93 kJ/mol 64.4707 ± 0.0012 2565-30-2*0 Ammonium nitrate (NH4)NO3 (cr,l) -350.28 -365.25 ± 0.19 kJ/mol 80.04344 ± 0.00095 6484-52-2*500 Chlorosyl chloride ClClO (g) 134.4 133.2 ± 1.4 kJ/mol 86.9048 ± 0.0018 86825-56-1*0 Dioxaziridinyl N(OO) (g) 355.0 352.5 ± 1.3 kJ/mol 46.00554 ± 0.00060 66252-29-7*0 Benzene cation [C6H6]+ (g) 992.51 976.04 ± 0.25 kJ/mol 78.1113 ± 0.0048 34504-50-2*0 Dibromide [Br2]- (g) -200.1 -214.2 ± 2.0 kJ/mol 159.8085 ± 0.0020 12595-70-9*0 o-Benzyne C6H4 (g) 469.7 460.8 ± 1.4 kJ/mol 76.0960 ± 0.0048 462-80-6*0 o-Benzyne anion [C6H4]- (g) 415.5 407.0 ± 1.4 kJ/mol 76.0965 ± 0.0048 100569-88-8*0 Hydrogen fluoride HF (aq, 50 H2O) -321.17 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*822 Trihydrogen dioxide anion [HOHOH]- (g) -487.26 -495.52 ± 0.96 kJ/mol 35.02317 ± 0.00064 12501-19-8*0 Peroxyimidogen NOO (g) 409.4 407.4 ± 1.6 kJ/mol 46.00554 ± 0.00060 *60488-31-5*0 1,2-Dibromoethane (CBrH2)2 (g) -10.9 -37.7 ± 1.3 kJ/mol 187.8612 ± 0.0026 106-93-4*0 1,1-Dichloroethane CHCl2CH3 (g) -114.8 -127.5 ± 1.1 kJ/mol 98.9586 ± 0.0024 75-34-3*0 Dioxygen difluoride cation [FOOF]+ (g, trans) 1291.4 1287.5 ± 4.6 kJ/mol 69.99506 ± 0.00060 *7783-44-0*1 Acetylene anion [HCCH]- (g, trans ?) 357.4 357.2 ± 1.8 kJ/mol 26.0378 ± 0.0016 50443-89-5*1 1-Hydrazinylium-1-yl [H2NN]+ (g) 1145.2 1138.2 ± 1.5 kJ/mol 30.02881 ± 0.00020 63986-30-1*0 Methylammonium [CH3NH3]+ (g) 628.8 609.7 ± 2.5 kJ/mol 32.06453 ± 0.00091 17000-00-9*0 Isodiazene anion [H2NN]- (g) 387.1 380.2 ± 1.8 kJ/mol 30.02991 ± 0.00020 *63986-30-1*0 Oxygen atom O (g, triplet) 246.844 249.229 ± 0.0021 kJ/mol 15.99940 ± 0.00030 17778-80-2*1 Iminomethyl anion [HCNH]- (g, cis) 254.2 250.4 ± 1.9 kJ/mol 28.03387 ± 0.00082 90623-30-6*2 Hydrogen cyanide cation [HCN]+ (g) 1442.53 1442.06 ± 0.20 kJ/mol 27.02483 ± 0.00081 12601-62-6*0 Hydrogen fluoride HF (aq, 60 H2O) -321.20 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*823 Hydrogen peroxide cation [H2O2]+ (g, cis) 930.91 924.05 ± 0.94 kJ/mol 34.01413 ± 0.00062 12325-10-9*2 Hydrogen bromide HBr (aq, 600 H2O) -120.32 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*834 Hydrogen fluoride HF (aq, 30 H2O) -321.11 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*820 Methyleneoxonium cation [CH2OH2]+ (g) 828.6 819.2 ± 1.6 kJ/mol 32.04131 ± 0.00090 *177788-17-9*0 Hydroxymethanide [CH2OH]- (g) 9.2 2.6 ± 1.5 kJ/mol 31.03447 ± 0.00088 55830-71-2*0 Formaldehyde cation [H2CO]+ (g) 944.89 941.27 ± 0.10 kJ/mol 30.02543 ± 0.00087 54288-05-0*0 Hydroxymethylene cation [HCOH]+ (g, cis) 986.5 982.9 ± 1.4 kJ/mol 30.02543 ± 0.00087 135395-06-1*2 Hydroxymethylene cation [HCOH]+ (g, gauche quartet) 1481.6 1478.9 ± 1.7 kJ/mol 30.02543 ± 0.00087 135395-06-1*3 Hydroxymethylene anion [HCOH]- (g, cis) 160.6 157.9 ± 1.5 kJ/mol 30.02653 ± 0.00087 207914-87-2*2 Hydroxymethylene anion [HCOH]- (g, gauche quartet) 333.6 334.4 ± 1.8 kJ/mol 30.02653 ± 0.00087 207914-87-2*3 Aquacarbon H2OC (g, triplet) 441.4 439.8 ± 2.1 kJ/mol 30.02598 ± 0.00087 81434-73-3*1 Aquacarbon H2OC (g, singlet vdW) 470.2 468.1 ± 2.4 kJ/mol 30.02598 ± 0.00087 81434-73-3*102 Hydroxylamine NH2OH (g, cis) -14.7 -25.2 ± 1.5 kJ/mol 33.02996 ± 0.00037 7803-49-8*2 Hydroxylamine cation [NH2OH]+ (g) 858.0 848.1 ± 1.8 kJ/mol 33.02941 ± 0.00037 62675-55-2*0 Peroxyformic acid HC(O)OOH (g, trans) -265.8 -273.8 ± 1.6 kJ/mol 62.0248 ± 0.0012 107-32-4*2 Peroxyformic acid HC(O)OOH (g, gauche) -265.7 -273.6 ± 1.6 kJ/mol 62.0248 ± 0.0012 107-32-4*3 Hydrogen fluoride HF (aq, 10 H2O) -320.89 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*815 Hydrogen bromide HBr (aq, 5000 H2O) -120.61 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*844 Dioxygenyl fluoride cation [FOO]+ (g) 1221.2 1218.8 ± 2.0 kJ/mol 50.99665 ± 0.00060 139584-95-5*0 Propynylidene cation [HCCCH]+ (g) 1410.8 1413.4 ± 1.3 kJ/mol 38.0474 ± 0.0024 75123-91-0*0 Chlorine chlorite ClOClO (g) 168.3 165.8 ± 1.4 kJ/mol 102.9042 ± 0.0019 105206-44-8*0 Propynylidene HCCCH (g, trans singlet) 597.3 599.2 ± 1.1 kJ/mol 38.0480 ± 0.0024 67152-18-5*4 Propadienylidenide [CH2CC]- (g) 381.18 382.08 ± 0.43 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 Nitroxyl cation [H2NO]+ (g) 946.32 939.19 ± 0.84 kJ/mol 32.02147 ± 0.00034 *51375-41-8*0 Hydrogen fluoride HF (aq, 18 H2O) -321.04 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*901 Hydrogen chloride HCl (aq, 75 H2O) -165.559 ± 0.026 kJ/mol 36.46064 ± 0.00090 7647-01-0*825 Hydrogen chloride HCl (aq, 100 H2O) -165.760 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*828 Nitrosyl nitrate ON(O2)NO (g, perp) 70.6 62.3 ± 1.7 kJ/mol 92.0111 ± 0.0012 *15969-55-8*0 n-Pentane CH3CH2CH2CH2CH3 (l) -173.08 ± 0.32 kJ/mol 72.1488 ± 0.0041 109-66-0*500 Dioxygenyl fluoride anion [FOO]- (g) -256.8 -256.0 ± 1.9 kJ/mol 50.99775 ± 0.00060 23553-17-5*0 iso-Pentane CH3CH2CH(CH3)2 (l) -178.49 ± 0.44 kJ/mol 72.1488 ± 0.0041 78-78-4*500 Dioxofluorine OFO (g) 524.0 523.2 ± 1.0 kJ/mol 50.99720 ± 0.00060 175861-93-5*0 neo-Pentane C(CH3)4 (l) -189.91 ± 0.41 kJ/mol 72.1488 ± 0.0041 463-82-1*500 Cyclopentane CH2(CH2CH2CH2CH2) (l) -106.26 ± 0.44 kJ/mol 70.1329 ± 0.0041 287-92-3*590 Xenon cation Xe+ (g) 1170.354 1170.354 ± 0.0062 kJ/mol 131.2895 ± 0.0200 24203-25-6*0 Peroxyimidogen cation [NOO]+ (g) 1409.6 1406.8 ± 1.8 kJ/mol 46.00499 ± 0.00060 *60488-32-6*0 1,5-Hexadiene CH2CHCH2CH2CHCH2 (g) 108.39 83.80 ± 0.40 kJ/mol 82.1436 ± 0.0049 592-42-7*0 2-Hydroxyethylium [CH2CH2OH]+ (g, gauche) 1024.7 1012.2 ± 2.3 kJ/mol 45.0600 ± 0.0017 38607-31-7*1 Ethoxy CH3CH2O (g) 1.13 -12.29 ± 0.51 kJ/mol 45.0605 ± 0.0017 2154-50-9*0 Ethyloxoniumylidene [CH3CH2O]+ (g) 988.5 974.8 ± 1.8 kJ/mol 45.0600 ± 0.0017 54387-07-4*0 Hydroxyaminylium [HNOH]+ (g, cis) 1049.2 1042.1 ± 2.0 kJ/mol 32.02147 ± 0.00034 66097-71-0*2 Hydroxyamidogen anion [HNOH]- (g) 91.2 85.4 ± 2.1 kJ/mol 32.02257 ± 0.00034 *66097-71-0*0 Formylmethyl anion [CH2CHO]- (g, perp triplet) 140.5 134.2 ± 1.9 kJ/mol 43.0452 ± 0.0016 64723-93-9*0 Aminium [NH3]+ (g) 944.275 937.320 ± 0.030 kJ/mol 17.03001 ± 0.00022 19496-55-0*0 C=O-C cation [COC]+ (g, quartet) 1812.6 1816.6 ± 2.3 kJ/mol 40.0203 ± 0.0016 83483-98-1*2 Dihydrooxooxygen cation [(H2O)O]+ (g) 994.7 988.0 ± 1.4 kJ/mol 34.01413 ± 0.00062 177329-59-8*0 Oxirene cation [O(CHCH)]+ (g) 1109.0 1105.4 ± 5.2 kJ/mol 42.0361 ± 0.0016 94664-69-4*0 Formic acid anion [HC(O)OH]- (g, anti) -240.6 -246.3 ± 1.7 kJ/mol 46.0259 ± 0.0010 19066-82-1*2 Dioxirane cation [CH2(OO)]+ (g) 1050.7 1043.0 ± 1.9 kJ/mol 46.0248 ± 0.0010 232262-10-1*0 Dioxymethyl cation [CH2OO]+ (g) 1075.1 1068.7 ± 1.6 kJ/mol 46.0248 ± 0.0010 232262-11-2*0 Peroxyimidogen anion [NOO]- (g) 164.2 161.8 ± 1.5 kJ/mol 46.00609 ± 0.00060 60488-31-5*0 Dioxymethylene HCOO (g, cis) 339.6 337.4 ± 3.1 kJ/mol 45.0174 ± 0.0010 438586-67-5*2 Azidonitrene NNNN (g, C2h) 660.7 657.6 ± 1.6 kJ/mol 56.02696 ± 0.00028 147363-92-6*1 Aminyliumyl [NH]+ (g) 1658.96 1659.89 ± 0.25 kJ/mol 15.014131 ± 0.000099 19067-62-0*0 Cyanato cation [NCO]+ (g) 1261.56 1262.06 ± 0.59 kJ/mol 42.01629 ± 0.00086 17247-99-3*0 Nitrous acid HONO (g) -73.018 -78.675 ± 0.079 kJ/mol 47.01348 ± 0.00061 7782-77-6*0 Nitrosomethyliumylidene [CNO]+ (g) 1509.7 1510.7 ± 1.8 kJ/mol 42.01629 ± 0.00086 67197-19-7*0 Fulminate [CNO]- (g) 59.3 59.6 ± 1.8 kJ/mol 42.01739 ± 0.00086 28269-67-2*0 Acetic acid CH3C(O)OH (l) -484.09 -483.66 ± 0.18 kJ/mol 60.0520 ± 0.0017 64-19-7*500 Acetic acid CH3C(O)OH (aq, 75 H2O) -484.71 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*825 Acetic acid CH3C(O)OH (aq, 700 H2O) -484.90 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*835 Trioxidanylium [HOOO]+ (g, cis) 1084.9 1078.7 ± 1.4 kJ/mol 49.00559 ± 0.00090 74241-49-9*2 1,3-Butadiyne-1,4-diyl CCCC (g) 1052.35 1062.32 ± 0.67 kJ/mol 48.0428 ± 0.0032 78015-07-3*0 (Formyloxy)methyl HC(O)OCH2 (g, anti) -133.5 -141.7 ± 1.9 kJ/mol 59.0440 ± 0.0017 3122-12-1*2 Glyoxal (CHO)2 (g, cis) -188.56 -194.00 ± 0.68 kJ/mol 58.0361 ± 0.0017 107-22-2*2 Glyoxal (CHO)2 (g) -206.99 -212.55 ± 0.52 kJ/mol 58.0361 ± 0.0017 107-22-2*0 Isocyanogen anion [CNCN]- (g, trans) 383.9 387.6 ± 2.5 kJ/mol 52.0354 ± 0.0016 *83951-85-3*1 Diisocyanogen cation [CNNC]+ (g, trans) 1823.0 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 Trioxidaniumyl [HOOOH]+ (g, c, t) 937.0 928.0 ± 1.4 kJ/mol 50.01353 ± 0.00091 161321-37-5*3 Dihydrogen cation [H2]+ (g) 1488.364 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*0 (Z)-Diazene cation [HNNH]+ (g, cis) 1157.2 1150.5 ± 1.3 kJ/mol 30.02881 ± 0.00020 86631-37-0*0 Hydrogen difluoride FHF (g) -200.7 -200.8 ± 1.8 kJ/mol 39.004746 ± 0.000070 12528-21-1*0 Fluorochlorobromomethane CHFClBr (g) -219.3 -231.7 ± 5.5 kJ/mol 147.3737 ± 0.0016 593-98-6*0 Hydrogen fluoride HF (l) -302.42 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*590 (Z)-Diazene anion [HNNH]- (g, cis) 284.0 277.5 ± 1.7 kJ/mol 30.02991 ± 0.00020 *86631-37-0*0 Fluoromethyliumyl [CHF]+ (g) 1116.9 1117.2 ± 2.1 kJ/mol 32.01649 ± 0.00080 89877-52-1*0 Fluoromethylene anion [CHF]- (g) 95.87 96.40 ± 0.62 kJ/mol 32.01759 ± 0.00080 71267-42-0*0 Ethane cation [C2H6]+ (g) 1043.26 1029.25 ± 0.59 kJ/mol 30.0685 ± 0.0017 34488-65-8*0 Diiodide [I2]- (g) -178.13 -180.72 ± 0.48 kJ/mol 253.809489 ± 0.000060 12190-71-5*0 Polytetrafluoroethylene C2F4 (s) -829.49 ± 0.58 kJ/mol 100.0150 ± 0.0016 9002-84-0*591 Trifluoride ion [F3]- (g) -364.3 -365.3 ± 2.5 kJ/mol 56.9957582 ± 0.0000015 25730-99-8*0 Nitric acid HNO3 (aq, 1000 H2O) -206.31 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*839 Iodine atom cation I+ (g) 1115.549 1115.149 ± 0.0062 kJ/mol 126.903921 ± 0.000030 22541-93-1*0 cis-1,2-Difluoroethene CHFCHF (g, cis) -303.0 -309.8 ± 1.1 kJ/mol 64.0341 ± 0.0016 1630-77-9*0 trans-1,2-Difluoroethene CHFCHF (g, trans) -299.8 -306.2 ± 1.1 kJ/mol 64.0341 ± 0.0016 1630-78-0*0 Bromoacetylene HCCBr (g) 282.3 275.8 ± 2.2 kJ/mol 104.9333 ± 0.0019 593-61-3*0 Nitric acid HNO3 (cr,l) -179.01 -173.28 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*500 Formyl fluoride cation [HFCO]+ (g) 816.4 813.1 ± 1.2 kJ/mol 48.01589 ± 0.00086 99766-68-4*0 Oxadiazirine anion [O(NN)]- (g) 99.6 100.0 ± 2.6 kJ/mol 44.01343 ± 0.00033 350586-31-1*0 Formyl fluoride [FCO]- (g) -405.3 -403.8 ± 1.7 kJ/mol 47.00905 ± 0.00085 62227-71-8*0 Fluoroisoformyl cation [COF]+ (g) 1347.4 1348.9 ± 2.1 kJ/mol 47.00795 ± 0.00085 *1871-25-6*0 Ethanide [CH3CH2]- (g) 152.1 141.0 ± 1.5 kJ/mol 29.0616 ± 0.0016 25013-41-6*0 Ethylene anion [C2H4]- (g, anti ?) 232.1 224.5 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*1 Hydrogen chloride HCl (aq, 2000 H2O) -166.685 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*841 Dioxaziridinyl cation [N(OO)]+ (g) 1365.9 1363.3 ± 1.5 kJ/mol 46.00499 ± 0.00060 *66252-29-7*0 Dioxaziridinyl anion [N(OO)]- (g) 295.7 293.3 ± 1.4 kJ/mol 46.00609 ± 0.00060 66252-31-1*0 Nirous oxide cation [NNO]+ (g) 1329.67 1326.78 ± 0.12 kJ/mol 44.01233 ± 0.00033 12269-46-4*0 Nitrosyl fluoride FNO (g) -85.81 -88.18 ± 0.93 kJ/mol 49.00454 ± 0.00031 7789-25-5*0 Ozone cation [OOO]+ (g) 1352.870 1350.530 ± 0.041 kJ/mol 47.99765 ± 0.00090 12596-82-6*0 Hydrogen fluoride HF (aq, 55 H2O) -321.19 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*905 Hydrogen chloride HCl (aq, 150 H2O) -165.981 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*829 Aminomethyl anion [CH2NH2]- (g) 212.0 201.0 ± 2.7 kJ/mol 30.04975 ± 0.00085 74215-21-7*0 Hydrogen fluoride HF (aq, 37 H2O) -321.14 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*890 Allylium [CH2CHCH2]+ (g) 964.11 952.56 ± 0.54 kJ/mol 41.0713 ± 0.0024 1724-44-3*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) 1234.2 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 Peroxyhypochlorite [ClOO]- (g) -249.32 -249.88 ± 0.37 kJ/mol 67.4520 ± 0.0011 224299-14-3*0 Methylaminilium [CH3NH]+ (g) 1135.2 1125.3 ± 2.5 kJ/mol 30.04865 ± 0.00085 49784-84-1*0 Hydrogen fluoride HF (aq, 55.51 H2O) -321.19 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*891 Cycloprop-2-enylium [CH(CHCH)]+ (g) 1080.9 1075.8 ± 1.4 kJ/mol 39.0554 ± 0.0024 26810-74-2*0 Nitrogen hydride oxide H3NO (g) 72.3 61.1 ± 1.7 kJ/mol 33.02996 ± 0.00037 38544-48-8*0 Methanimine cation [H2CNH]+ (g) 1055.8 1048.8 ± 2.1 kJ/mol 29.04071 ± 0.00083 65130-65-6*0 Methanimine anion [H2CNH]- (g) 228.7 221.4 ± 2.5 kJ/mol 29.04181 ± 0.00083 127593-73-1*0 Propynylidene HCCCH (g) 543.38 546.37 ± 0.63 kJ/mol 38.0480 ± 0.0024 67152-18-5*0 Bifluoride [FFH]- (g) -475.9 -476.3 ± 3.1 kJ/mol 39.005295 ± 0.000070 *18130-74-0*0 Aminomethyliumyl [HCNH2]+ (g) 1040.8 1033.1 ± 2.6 kJ/mol 29.04071 ± 0.00083 89302-94-3*0 Cyclopropyne CH2(CC) (g) 791.3 790.8 ± 1.4 kJ/mol 38.0480 ± 0.0024 60701-63-5*0 Carbon atom C (g, singlet) 833.332 838.478 ± 0.050 kJ/mol 12.01070 ± 0.00080 7440-44-0*2 Aminomethylene anion [HCNH2]- (g) 357.1 350.2 ± 2.5 kJ/mol 29.04181 ± 0.00083 207914-86-1*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 Nitroxyl anion [H2NO]- (g) 49.3 42.3 ± 1.8 kJ/mol 32.02257 ± 0.00034 51375-41-8*0 Methylaminyliumyl [H3CN]+ (g, quartet) 1478.4 1471.3 ± 2.6 kJ/mol 29.04071 ± 0.00083 56924-51-7*2 Hydrogen chloride HCl (aq, 140 H2O) -165.948 ± 0.026 kJ/mol 36.46064 ± 0.00090 7647-01-0*907 Methylimidogen anion [H3CN]- (g) 322.2 314.6 ± 1.7 kJ/mol 29.04181 ± 0.00083 82539-34-2*0 Methyleneaminylium [H2CN]+ (g, triplet) 1457.2 1453.6 ± 2.5 kJ/mol 28.03277 ± 0.00082 53518-13-1*1 Dibromine Br2 (aq) -2.16 ± 0.20 kJ/mol 159.8080 ± 0.0020 7726-95-6*800 Nitrosyl nitrite ONONO (g, t, c) 109.6 105.5 ± 1.5 kJ/mol 76.01168 ± 0.00091 122413-35-8*2 Hydrogen bromide HBr (aq, 2570 H2O) -120.54 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*952 Hydrogen chloride HCl (aq, 1500 H2O) -166.639 ± 0.025 kJ/mol 36.46064 ± 0.00090 7647-01-0*840 Cyclopentene CH2(CH2CHCHCH2) (l) 5.01 ± 0.42 kJ/mol 68.1170 ± 0.0040 142-29-0*590 Hydrogen chloride HCl (aq, 74 H2O) -165.548 ± 0.027 kJ/mol 36.46064 ± 0.00090 7647-01-0*953 Ethanol CH3CH2OH (l) -269.31 -277.07 ± 0.21 kJ/mol 46.0684 ± 0.0017 64-17-5*500 Chlorosyl chloride cation [ClClO]+ (g) 1132.6 1130.8 ± 2.0 kJ/mol 86.9043 ± 0.0018 *86825-56-1*0 Bromosyl ion [BrO]+ (g) 1139.5 1131.7 ± 1.6 kJ/mol 95.9029 ± 0.0010 142315-39-7*0 1-Hydroxyethyl anion [CH3CHOH]- (g) -19.8 -33.2 ± 2.5 kJ/mol 45.0610 ± 0.0017 88032-18-2*0 Hydrazinylium [N2H3]+ (g) 968.91 957.66 ± 0.83 kJ/mol 31.03675 ± 0.00025 37369-93-0*0 Hypochlorous acid cation [HOCl]+ (g) 998.75 995.71 ± 0.88 kJ/mol 52.45949 ± 0.00095 71606-47-8*0 Dinitrogen pentoxide O2NONO2 (cr,l) -41.06 ± 0.43 kJ/mol 108.0105 ± 0.0015 10102-03-1*500 Chlorine fluoride cation [ClF]+ (g) 1165.59 1165.77 ± 0.50 kJ/mol 54.45055 ± 0.00090 12432-44-9*0 Aminomethyliumylidene [CNH2]+ (g) 1168.9 1165.6 ± 2.5 kJ/mol 28.03277 ± 0.00082 86784-42-1*0 Trioxidanylium [HOOO]+ (g) 1070.2 1063.9 ± 1.3 kJ/mol 49.00559 ± 0.00090 74241-49-9*0 Acetaldehyde anion [CH3CHO]- (g) -59.3 -69.8 ± 2.4 kJ/mol 44.0531 ± 0.0017 60427-04-5*0 Triazirinylium ion [N(NN)]+ (g) 1608.8 1605.9 ± 1.6 kJ/mol 42.01967 ± 0.00021 92220-05-8*0 Bromine dioxide OBrO (g) 167.8 158.2 ± 2.8 kJ/mol 111.9028 ± 0.0012 21255-83-4*0 Ketene cation [CH2CO]+ (g) 882.12 879.10 ± 0.13 kJ/mol 42.0361 ± 0.0016 64999-16-2*0 Ketene anion [CH2CO]- (g) -15.4 -18.5 ± 1.9 kJ/mol 42.0372 ± 0.0016 56391-79-8*0 Hydrooxonitrate [HNO]- (g) 79.7 76.8 ± 1.1 kJ/mol 31.01463 ± 0.00032 66057-02-1*0 Oxoethenylium [HCCO]+ (g) 1139.0 1141.7 ± 2.5 kJ/mol 41.0282 ± 0.0016 92056-63-8*0 Hypofluorous acid cation [HOF]+ (g) 1142.01 1139.08 ± 0.89 kJ/mol 36.00519 ± 0.00031 90243-22-4*0 Ethynylene cation [C2]+ (g) 1967.4 1974.0 ± 1.7 kJ/mol 24.0209 ± 0.0016 12595-79-8*0 Hydrogen bromide HBr (aq, 3000 H2O) -120.56 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*842 Hypochlorous acid anion [HOCl]- (g) 196.7 196.4 ± 2.2 kJ/mol 52.46059 ± 0.00095 34524-94-2*0 Hydroxyimidogen anion [NOH]- (g) 230.8 228.3 ± 1.9 kJ/mol 31.01463 ± 0.00032 *35337-59-8*0 Triazirine HN(NN) (g) 464.1 457.7 ± 2.6 kJ/mol 43.02816 ± 0.00022 157-29-9*0 Ethynol cation [HCCOH]+ (g) 1063.0 1060.8 ± 2.5 kJ/mol 42.0361 ± 0.0016 84005-02-7*0 Methyl hydroperoxide cation [CH3OOH]+ (g) 832.3 819.6 ± 2.5 kJ/mol 48.0407 ± 0.0010 112465-88-0*0 Chlorosyl Hydride HClO (g) 141.9 139.1 ± 2.3 kJ/mol 52.46004 ± 0.00095 71572-35-5*0 Trifluorine cation [F3]+ (g) 1533.0 1531.0 ± 2.2 kJ/mol 56.9946610 ± 0.0000015 64710-22-1*0 Methoxyoxoniumylidene [CH3OO]+ (g) 1012.2 1003.8 ± 2.0 kJ/mol 47.0328 ± 0.0010 86475-50-5*0 Hypofluorous acid anion [HOF]- (g) 152.7 152.0 ± 3.8 kJ/mol 36.00629 ± 0.00031 36505-07-4*0 1,2-Propadien-1-yl-3-ylidene anion [CCC]- (g) 621.5 628.9 ± 1.2 kJ/mol 36.0326 ± 0.0024 109292-47-9*0 Chloroniumyl ion [HCl]+ (g) 1137.797 1137.731 ± 0.0051 kJ/mol 36.46009 ± 0.00090 12258-94-5*0 Dioxirane anion [CH2(OO)]- (g) -170.4 -177.3 ± 3.9 kJ/mol 46.0259 ± 0.0010 *157-26-6*0 Diazene ion [N2H]- (g) 176.5 175.0 ± 2.2 kJ/mol 29.02197 ± 0.00016 71004-29-0*0 Dioxymethyl anion [CH2OO]- (g) 55.4 50.3 ± 1.4 kJ/mol 46.0259 ± 0.0010 93207-29-5*0 Hypobromous acid cation [HOBr]+ (g) 975.16 964.58 ± 0.62 kJ/mol 96.9108 ± 0.0010 154804-02-1*0 Formyloxidanyl HC(O)O (g) -124.76 -126.12 ± 0.55 kJ/mol 45.0174 ± 0.0010 16499-21-1*0 Dioxiranyl HC(OO) (g) 216.5 213.0 ± 2.0 kJ/mol 45.0174 ± 0.0010 120595-16-6*0 2-Cyclopropyn-1-ylidene C(CC) (g, singlet) 994.2 1001.0 ± 2.2 kJ/mol 36.0321 ± 0.0024 102508-15-6*2 Propynylidyne anion [C(CC)]- (g) 664.7 672.0 ± 1.6 kJ/mol 36.0326 ± 0.0024 500574-36-7*0 2-Propanol CH3CH(OH)CH3 (cr,l) -305.49 -318.30 ± 0.35 kJ/mol 60.0950 ± 0.0025 67-63-0*500 Imidogen anion [NH]- (g) 322.61 322.66 ± 0.17 kJ/mol 15.015229 ± 0.000099 23841-33-0*0 Hydrogen bromide HBr (aq, 2000 H2O) -120.51 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*841 Hydroxyoxoammoniumyl [HONO]+ (g) 984.1 977.7 ± 1.6 kJ/mol 47.01293 ± 0.00061 80371-48-8*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) -418.38 -432.50 ± 0.54 kJ/mol 60.0520 ± 0.0017 64-19-7*0 Bicyclo[1.1.0]buta-1,3-diene-2,4-diyl C(CC)C (g) 1047.41 1055.01 ± 0.71 kJ/mol 48.0428 ± 0.0032 12184-80-4*0 Methoxycarbonyl C(O)OCH3 (g, anti-staggered) -149.8 -157.7 ± 1.9 kJ/mol 59.0440 ± 0.0017 16481-04-2*1 Hydrogen fluoride HF (aq, 22.2 H2O) -321.07 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*888 Fluorosyl fluoride FFO (g) 189.2 189.5 ± 4.8 kJ/mol 53.99621 ± 0.00030 86825-57-2*0 Oxalic acid (COOH)2 (g) -710.8 -721.4 ± 2.1 kJ/mol 90.0349 ± 0.0020 144-62-7*0 Methanol anion [CH3OH]- (g) 53.8 43.1 ± 2.6 kJ/mol 32.04241 ± 0.00090 68474-04-4*0 Isocyanogen anion [CNCN]- (g, cis) 386.7 389.6 ± 2.9 kJ/mol 52.0354 ± 0.0016 *83951-85-3*2 Hydroperoxyimidogen HOON (g, trans) 103.3 99.8 ± 2.4 kJ/mol 47.01348 ± 0.00061 877456-58-1*1 Diisocyanogen cation [CNNC]+ (g, cis) 1835.1 1837.8 ± 3.5 kJ/mol 52.0343 ± 0.0016 *78800-21-2*2 Cyanoamidogen anion [HNCN]- (g) 71.7 68.7 ± 1.7 kJ/mol 41.03267 ± 0.00082 67131-47-9*0 Cyanamide H2NCN (g) 140.9 134.7 ± 1.5 kJ/mol 42.04006 ± 0.00082 420-04-2*0 Diazomethylene CNN (g) 578.8 579.4 ± 4.0 kJ/mol 40.02418 ± 0.00081 2468-81-7*0 Hydrogen chloride HCl (aq, 2439 H2O) -166.714 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*951 Water H2O (l, eq.press.) -285.830 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*589 Nitric acid cation [HNO3]+ (g) 1029.29 1020.23 ± 0.69 kJ/mol 63.01233 ± 0.00091 272109-63-4*0 Tetranitrogen cation [N4]+ (g) 1392.8 1392.5 ± 1.5 kJ/mol 56.02641 ± 0.00028 12185-04-5*0 Fluorobromomethane CH2FBr (g) -198.0 -212.4 ± 5.5 kJ/mol 112.9290 ± 0.0013 373-52-4*0 Fluorine atom cation F+ (g) 1758.311 1760.610 ± 0.048 kJ/mol 18.99785462 ± 0.00000050 14701-13-4*0 Nirous oxide anion [NNO]- (g) 99.3 96.7 ± 1.8 kJ/mol 44.01343 ± 0.00033 12274-12-3*0 Fluorodibromomethane CHFBr2 (g) -160.0 -179.5 ± 5.5 kJ/mol 191.8250 ± 0.0022 1868-53-7*0 Acetylene anion [HCCH]- (g, cis ?) 380.5 380.7 ± 1.8 kJ/mol 26.0378 ± 0.0016 50443-89-5*2 Difluorochlorobromomethane CF2ClBr (g) -431.4 -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 Difluoromethyliumyl [CF2]+ (g) 908.37 908.80 ± 0.89 kJ/mol 50.00696 ± 0.00080 54250-40-7*0 Formaldehyde anion [H2CO]- (g) -25.9 -27.5 ± 1.8 kJ/mol 30.02653 ± 0.00087 27837-46-3*0 Dioxygen difluoride cation [FOOF]+ (g, cis) 1294.2 1290.2 ± 4.6 kJ/mol 69.99506 ± 0.00060 *7783-44-0*2 Fluoroniumyl ion [HF]+ (g) 1275.567 1275.799 ± 0.050 kJ/mol 20.005795 ± 0.000070 12381-92-9*0 Ammonium chloride (NH4)Cl (cr) -311.724 -314.886 ± 0.063 kJ/mol 53.49120 ± 0.00095 12125-02-9*510 Chlorosyl chloride anion [ClClO]- (g) -185.4 -184.8 ± 2.3 kJ/mol 86.9053 ± 0.0018 *86825-55-0*0 Ethonium [C2H7]+ (g, classical Cs I) 889.8 871.4 ± 1.6 kJ/mol 31.0764 ± 0.0017 24669-33-8*2 Difluorophosgene cation [COF2]+ (g) 653.31 650.68 ± 0.56 kJ/mol 66.00636 ± 0.00085 73256-56-1*0 Difluorophosgene anion [COF2]- (g) -603.5 -605.4 ± 2.9 kJ/mol 66.00745 ± 0.00085 474815-26-4*0 Ammonium bromide (NH4)Br (cr) -253.56 -270.14 ± 0.17 kJ/mol 97.9425 ± 0.0010 12124-97-9*510 Trioxodinitrate anion [ONNO2]- (g, non-vdW) -87.8 -94.9 ± 1.8 kJ/mol 76.01223 ± 0.00091 194856-62-7*1 Ethonium [C2H7]+ (g, classical Cs II) 896.2 878.4 ± 1.6 kJ/mol 31.0764 ± 0.0017 24669-33-8*3 Dibromophosgene COBr2 (l) -144.28 ± 0.96 kJ/mol 187.8181 ± 0.0022 593-95-3*590 Hydrogen fluoride HF (aq, 23 H2O) -321.08 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*903 2-Chloroethanol ClCH2CH2OH (l) -315.08 ± 0.54 kJ/mol 80.5132 ± 0.0019 107-07-3*590 2-Bromoethanol BrCH2CH2OH (l) -274.85 ± 0.47 kJ/mol 124.9645 ± 0.0019 540-51-2*590 Ethylene anion [C2H4]- (g, syn ?) 231.6 225.5 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*2 Phenylium [C6H5]+ (g, singlet) 1148.47 1136.57 ± 0.89 kJ/mol 77.1034 ± 0.0048 17333-73-2*2 Methylammoniumyl [CH3NH2]+ (g) 866.9 853.1 ± 2.4 kJ/mol 31.05659 ± 0.00088 34516-31-9*0 Methylamine anion [CH3NH2]- (g) 69.1 54.8 ± 4.0 kJ/mol 31.05769 ± 0.00088 81096-79-9*0 Nitrate [NO3]- (aq) -206.63 ± 0.18 kJ/mol 62.00549 ± 0.00090 14797-55-8*800 Chloryl chloride ClCl(O)O (g) 126.0 122.0 ± 1.7 kJ/mol 102.9042 ± 0.0019 117489-73-3*0 Fluorobenzene C6H5F (cr,l) -152.01 -149.59 ± 0.83 kJ/mol 96.1023 ± 0.0048 462-06-6*500 1-Ethylium-1-yl [CH3CH]+ (g) 1182.9 1175.5 ± 3.0 kJ/mol 28.0526 ± 0.0016 85944-79-2*0 Bromobenzene C6H5Br (cr,l) 59.8 ± 1.3 kJ/mol 157.0079 ± 0.0049 108-86-1*500 Acetone CH3C(O)CH3 (cr,l) -244.40 -247.52 ± 0.36 kJ/mol 58.0791 ± 0.0025 67-64-1*500 Ethylidene anion [CH3CH]- (g) 326.7 319.4 ± 1.6 kJ/mol 28.0537 ± 0.0016 35829-99-3*0 Monoammonium succinate (CH2COOH)2(NH3) (cr) -1067.97 ± 0.72 kJ/mol 135.1186 ± 0.0035 38457-08-8*510 Diammonium succinate (CH2COOH)2(NH3)2 (cr) -1182.51 ± 0.48 kJ/mol 152.1492 ± 0.0035 2226-88-2*510 1,2-Dichloroethane (CClH2)2 (cr,l) -165.33 ± 0.59 kJ/mol 98.9586 ± 0.0024 107-06-2*500 1,1-Dichloroethane CHCl2CH3 (cr,l) -158.2 ± 1.1 kJ/mol 98.9586 ± 0.0024 75-34-3*500 Dioxymethylidyne cation [(C)(OO)]+ (g, vdW quartet) 1386.6 1390.1 ± 2.9 kJ/mol 44.00895 ± 0.00100 *791121-04-5*101 Iodine monochloride ICl (cr) -36.511 -35.537 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*510 NON anion [NON]- (g) 495.9 493.3 ± 2.2 kJ/mol 44.01343 ± 0.00033 *227934-47-6*0 Dinitrogen dioxide ONNO (g, cis) 172.89 171.12 ± 0.14 kJ/mol 60.01228 ± 0.00062 16824-89-8*2 Nitrogen sesquioxide cation [ONNO2]+ (g, vdW) 1027.7 1023.8 ± 3.4 kJ/mol 76.01113 ± 0.00091 *10544-73-7*0 Dihydrogen H2 (g, ortho) 1.417 0.019 ± 0.000 kJ/mol 2.01588 ± 0.00014 1333-74-0*1 Carbon dioxide cation [CO2]+ (g, quartet) 1333.5 1334.0 ± 2.1 kJ/mol 44.00895 ± 0.00100 12181-61-2*1 Trifluorine F3 (g) 84.1 84.8 ± 2.4 kJ/mol 56.9952096 ± 0.0000015 73455-86-4*0 Carbon monoxide anion [CO]- (g) 34.3 38.0 ± 2.2 kJ/mol 28.01065 ± 0.00085 12539-63-8*0 Cycloprop-1-enylium [CH2(CHC)]+ (g) 1502.6 1498.4 ± 2.2 kJ/mol 39.0554 ± 0.0024 117067-78-4*0 Cycloprop-1-enyl anion [CH2(CHC)]- (g) 373.8 369.3 ± 2.2 kJ/mol 39.0565 ± 0.0024 80251-77-0*0 Hydroxylamine NH2OH (aq, undissoc) -97.1 ± 2.2 kJ/mol 33.02996 ± 0.00037 7803-49-8*1000 Hydraziniumyl [H2NNH2]+ (g) 887.5 873.7 ± 1.8 kJ/mol 32.04469 ± 0.00031 20771-51-1*0 Cycloprop-2-enyl anion [CH(CHCH)]- (g) 515.2 512.2 ± 2.2 kJ/mol 39.0565 ± 0.0024 20829-57-6*0 Carbide [C2]- (g) 504.83 511.41 ± 0.52 kJ/mol 24.0219 ± 0.0016 12595-78-7*0 Hydrogen fluoride HF (aq, 18.5 H2O) -321.05 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*887 Ammonia anion [NH3]- (g) 94.3 87.4 ± 2.4 kJ/mol 17.03111 ± 0.00022 37353-00-7*0 Hydrazine H2NNH2 (cr,l) 57.25 50.68 ± 0.18 kJ/mol 32.04524 ± 0.00031 302-01-2*500 Hydrazoic acid anion [HNNN]- (g, trans) 309.0 302.7 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*1 Cyclopropenylidene anion [C(CHCH)]- (g) 544.3 543.8 ± 2.2 kJ/mol 38.0485 ± 0.0024 *16165-40-5*0 Nitrosyl nitrite anion [ONONO]- (g, t, t) -102.3 -105.5 ± 2.6 kJ/mol 76.01223 ± 0.00091 *122413-35-8*1 Propane cation [CH3CH2CH3]+ (g) 974.5 954.6 ± 1.6 kJ/mol 44.0951 ± 0.0025 34479-70-4*0 Dihydrogen cation [H2]+ (g, ortho) 1489.060 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*1 Bromoniumyl [HBr]+ (g) 1097.86 1090.01 ± 0.16 kJ/mol 80.9114 ± 0.0010 12258-64-9*0 Carbon atom C (g, triplet) 711.401 716.886 ± 0.050 kJ/mol 12.01070 ± 0.00080 7440-44-0*1 1,2-Propadien-1-ylium-1-yl-3-ylidene [CCC]+ (g, lin) 1981.7 1990.8 ± 2.1 kJ/mol 36.0316 ± 0.0024 118090-85-0*1 Formic acid HC(O)OH (cr,l) -431.60 -424.77 ± 0.20 kJ/mol 46.0254 ± 0.0010 64-18-6*500 Hydrogen peroxide H2O2 (cr,l) -193.161 -187.344 ± 0.080 kJ/mol 34.01468 ± 0.00062 7722-84-1*500 Bromosyl bromide BrBrO (g) 180.5 164.7 ± 2.3 kJ/mol 175.8074 ± 0.0020 68322-97-4*0 2-Propen-3-ylium-1-ylidyne [CHCHC]+ (g) 1791.2 1792.8 ± 2.6 kJ/mol 38.0474 ± 0.0024 161054-36-0*0 Hydroxyoxoammoniumyl [HONO]+ (g, trans) 984.1 977.7 ± 1.6 kJ/mol 47.01293 ± 0.00061 80371-48-8*1 Propenediylidene anion [CHCHC]- (g) 588.8 590.0 ± 2.3 kJ/mol 38.0485 ± 0.0024 *161054-36-0*0 Hydrochlorate ion [HCl]- (g) -25.5 -24.5 ± 3.0 kJ/mol 36.46119 ± 0.00090 63099-75-2*0 1-Propanol CH3CH2CH2OH (cr,l) -290.50 -302.69 ± 0.25 kJ/mol 60.0950 ± 0.0025 71-23-8*500 Nitrous acid anion [HONO]- (g, cis) -107.4 -112.1 ± 2.1 kJ/mol 47.01403 ± 0.00061 256393-36-9*2 Dioxygen difluoride anion [FOOF]- (g) -237.4 -237.6 ± 5.6 kJ/mol 69.99615 ± 0.00060 *7783-45-1*0 Carbon dioxide anion [CO2]- (g) -340.2 -339.7 ± 1.9 kJ/mol 44.01005 ± 0.00100 14485-07-5*0 Tetrazete N(NNN) (g, D2h) 764.9 759.0 ± 1.8 kJ/mol 56.02696 ± 0.00028 42851-09-2*0 Acetic acid CH3C(O)OH (g, anti) -397.3 -411.1 ± 1.2 kJ/mol 60.0520 ± 0.0017 64-19-7*2 Acetic acid CH3C(O)OH (aq, 1000 H2O) -484.91 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*839 Hydronium radical (H2O)(H) (g, vdW) -18.5 -21.6 ± 2.1 kJ/mol 19.02322 ± 0.00037 12168-76-2*100 Methyl formate HC(O)OCH3 (l) -386.14 ± 0.58 kJ/mol 60.0520 ± 0.0017 107-31-3*500 Hydrogen chloride HCl (aq, 1000 H2O) -166.567 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*839 Hypochloritooxygen cation [ClOO]+ (g) 1202.5 1200.3 ± 3.4 kJ/mol 67.4510 ± 0.0011 64710-10-7*0 Tetraazatetrahedrane N4 (g, Td) 763.7 757.2 ± 1.7 kJ/mol 56.02696 ± 0.00028 12596-63-3*0 Ethylene glycol (CH2OH)2 (cr,l) -448.69 -455.21 ± 0.38 kJ/mol 62.0678 ± 0.0018 107-21-1*500 Oxalic acid (COOH)2 (cr) -819.29 ± 0.46 kJ/mol 90.0349 ± 0.0020 144-62-7*500 Hydrazide [N2H3]- (g) 252.8 242.9 ± 2.5 kJ/mol 31.03785 ± 0.00025 25415-88-7*0 Dimethylamine (CH3)2NH (l) -41.21 ± 0.72 kJ/mol 45.0837 ± 0.0017 124-40-3*500 Trimethylamine (CH3)3N (l) -45.80 ± 0.61 kJ/mol 59.1103 ± 0.0025 75-50-3*500 Cyanogen cation [NCCN]+ (g) 1598.28 1600.50 ± 0.44 kJ/mol 52.0343 ± 0.0016 37354-81-7*0 Cyanogen anion [NCCN]- (g) 281.5 284.5 ± 2.7 kJ/mol 52.0354 ± 0.0016 11118-88-0*0 Isocyanogen cation [CNCN]+ (g) 1652.8 1654.2 ± 1.7 kJ/mol 52.0343 ± 0.0016 133415-63-1*0 Cyclobutane CH2(CH2CH2CH2) (l) 3.80 ± 0.44 kJ/mol 56.1063 ± 0.0032 287-23-0*590 Methylcyclopropane CH3CH(CH2CH2) (l) 1.82 ± 0.59 kJ/mol 56.1063 ± 0.0032 594-11-6*590 Methanol CH3OH (l) -235.07 -238.41 ± 0.17 kJ/mol 32.04186 ± 0.00090 67-56-1*500 Hydrogen chloride HCl (aq, 200 H2O) -166.107 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*830 Diisocyanogen anion [CNNC]- (g) 456.7 463.6 ± 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) 536.1 538.6 ± 5.8 kJ/mol 52.0354 ± 0.0016 *130760-11-1*0 3H-diazirin-3-ylidene-methylene CC(NN) (g) 833.6 836.1 ± 3.6 kJ/mol 52.0349 ± 0.0016 204253-88-3*0 Oxadiazirine [O(NN)]+ (g) 1511.2 1508.8 ± 2.1 kJ/mol 44.01233 ± 0.00033 *227934-45-4*0 Isocyanomethyliumylidene [CNC]+ (g) 1612.5 1618.1 ± 6.2 kJ/mol 38.0276 ± 0.0016 78271-45-1*0 Isocyanomethylidyne anion [CNC]- (g) 478.6 482.3 ± 5.8 kJ/mol 38.0287 ± 0.0016 *53590-27-5*0 Cyanomethyliumylidene [CCN]+ (g) 1711.0 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) 722.1 726.2 ± 4.9 kJ/mol 38.0281 ± 0.0016 439586-06-8*0 Cyanoaminyliumyl [NCN]+ (g) 1671.9 1673.2 ± 2.9 kJ/mol 40.02363 ± 0.00081 316122-03-9*0 Cyanoamidogen anion [NCN]- (g) 210.87 210.88 ± 0.81 kJ/mol 40.02473 ± 0.00081 189879-95-6*0 1-Methylethenylium [CH3CCH2]+ (g) 996.1 986.6 ± 2.5 kJ/mol 41.0713 ± 0.0024 50457-57-3*0 Cyanamide H2NCN (cr) 58.91 ± 0.54 kJ/mol 42.04006 ± 0.00082 420-04-2*500 Diazomethyliumyl [CNN]+ (g) 1641.8 1643.6 ± 4.4 kJ/mol 40.02363 ± 0.00081 307495-90-5*0 Diazomethylene anion [CNN]- (g) 407.9 408.0 ± 4.0 kJ/mol 40.02473 ± 0.00081 205498-92-6*0 Trihydrogen H(HH) (g, 2p 2A2" Ry) 756.931 754.146 ± 0.015 kJ/mol 3.02382 ± 0.00021 12184-91-7*2 Dioxiranylidene cation [C(OO)]+ (g) 1409.4 1410.7 ± 2.4 kJ/mol 44.00895 ± 0.00100 *138832-57-2*0 Trioxidanyl HOOO (g) 25.31 23.22 ± 0.13 kJ/mol 49.00614 ± 0.00090 12500-78-6*0 Deuterium hydride cation [HD]+ (g) 1490.498 1490.587 ± 0.000 kJ/mol 3.021493 ± 0.000070 12181-16-7*0 1-Methylethenyl anion [CH3CCH2]- (g) 199.2 188.1 ± 2.8 kJ/mol 41.0723 ± 0.0024 65887-19-6*0 Hydrazine anion [H2NNH2]- (g) 226.6 212.7 ± 3.1 kJ/mol 32.04579 ± 0.00031 65391-88-0*0 Methanol dimer (CH3OH)2 (g) -398.1 -418.7 ± 1.4 kJ/mol 64.0837 ± 0.0018 42845-44-3*0 Methylene chloride CH2Cl2 (l) -123.30 ± 0.61 kJ/mol 84.9320 ± 0.0020 75-09-2*590 Nitrato [NO3]+ (g) 1290.55 1285.84 ± 0.86 kJ/mol 62.00439 ± 0.00090 133057-96-2*0 Tetraoxodinitrogen cation [O2NNO2]+ (g) 1030.6 1025.1 ± 2.6 kJ/mol 92.0105 ± 0.0012 64476-91-1*0 Dioxiranylidene anion [C(OO)]- (g, ?) -109.6 -109.1 ± 2.6 kJ/mol 44.01005 ± 0.00100 *138832-58-3*0 Krypton cation Kr+ (g) 1350.759 1350.759 ± 0.0011 kJ/mol 83.7995 ± 0.1000 16915-28-9*0 Difluoromethylene anion [CF2]- (g) -211.25 -210.03 ± 0.59 kJ/mol 50.00805 ± 0.00080 66212-40-6*0 Fluorosyl fluoride cation [FFO]+ (g) 1409.3 1409.6 ± 6.3 kJ/mol 53.99566 ± 0.00030 *86825-50-5*0 Fluoromethylidyne anion [CF]- (g) 200.6 204.1 ± 1.7 kJ/mol 31.00965 ± 0.00080 33412-12-3*0 1-Ethenylium-1-yl [CCH2]+ (g) 1507.6 1507.6 ± 1.9 kJ/mol 26.0367 ± 0.0016 80541-07-7*0 NON cation [NON]+ (g) 1443.2 1443.4 ± 2.4 kJ/mol 44.01233 ± 0.00033 *227934-46-5*0 n-Hexane CH3CH2CH2CH2CH2CH3 (l) -179.99 -198.64 ± 0.34 kJ/mol 86.1754 ± 0.0049 110-54-3*500 Formaldehyde H2CO (cr, paraformaldehyde) -179.2 ± 1.6 kJ/mol 30.02598 ± 0.00087 50-00-0*500 Nitrosyl nitrite ONONO (g, c, p) 125.4 120.1 ± 2.1 kJ/mol 76.01168 ± 0.00091 122413-35-8*3 Deuterium hydride HD (g) 0.328 0.319 ± 0.000 kJ/mol 3.022042 ± 0.000070 13983-20-5*0 Cyclohexane CH2(CH2CH2CH2CH2CH2) (l) -156.29 ± 0.36 kJ/mol 84.1595 ± 0.0049 110-82-7*500 Hydrofluorate ion [HF]- (g) -75.4 -74.9 ± 2.0 kJ/mol 20.006892 ± 0.000070 37249-79-9*0 Iodine atom I (g, 2P3/2) 107.157 106.757 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*1 Nitric acid HNO3 (aq, 1 H2O) -186.84 ± 0.19 kJ/mol 63.01288 ± 0.00091 7697-37-2*801 Nitric acid HNO3 (aq, 3 H2O) -197.75 ± 0.18 kJ/mol 63.01288 ± 0.00091 7697-37-2*805 1,2-Difluoroacetylene cation [FCCF]+ (g) 1081.0 1084.0 ± 1.5 kJ/mol 62.0177 ± 0.0016 268566-70-7*0 n-Heptane CH3(CH2)5CH3 (l) -201.72 -224.17 ± 0.48 kJ/mol 100.2019 ± 0.0057 142-82-5*500 Trioxirane O(OO) (g) 274.5 271.9 ± 1.2 kJ/mol 47.99820 ± 0.00090 153851-84-4*0 n-Octane CH3(CH2)6CH3 (l) -226.67 -249.79 ± 0.67 kJ/mol 114.2285 ± 0.0065 111-65-9*500 1,5-Hexadiene CH2CHCH2CH2CHCH2 (cr,l) 54.43 ± 0.32 kJ/mol 82.1436 ± 0.0049 592-42-7*500 Trioxidane HOOOH (g) -81.43 -90.03 ± 0.70 kJ/mol 50.01408 ± 0.00091 14699-99-1*0 Nitric acid trihydrate HNO3(H2O)3 (cr,l) -1062.09 -1055.24 ± 0.21 kJ/mol 117.0587 ± 0.0019 13444-83-2*500 Deuterium atom cation D+ (g) 1532.211 1534.123 ± 0.000 kJ/mol 2.01355319809 ± 0.00000000040 14464-47-2*0 Cyclopropyl anion [CH(CH2CH2)]- (g) 263.7 250.9 ± 2.5 kJ/mol 41.0723 ± 0.0024 1724-45-4*0 Hydrogen chloride HCl (aq, 3000 H2O) -166.744 ± 0.024 kJ/mol 36.46064 ± 0.00090 7647-01-0*842 Dioxymethylidyne cation [COO]+ (g, doublet) 1435.7 1438.2 ± 2.7 kJ/mol 44.00895 ± 0.00100 *791121-04-5*2 2-Iodoethanol ICH2CH2OH (l) -207.2 ± 2.4 kJ/mol 171.9650 ± 0.0017 624-76-0*590 Azide ion [NNN]- (aq) 272.62 ± 0.47 kJ/mol 42.02077 ± 0.00021 14343-69-2*800 1,3-Butadiyne cation [HCCCCH]+ (g) 1440.60 1441.45 ± 0.88 kJ/mol 50.0581 ± 0.0032 55468-55-8*0 Tricarbon dioxide cation [OCCCO]+ (g) 927.0 930.5 ± 1.3 kJ/mol 68.0304 ± 0.0025 151528-67-5*0 Tricarbon dioxide anion [OCCCO]- (g) -133.5 -129.8 ± 2.5 kJ/mol 68.0314 ± 0.0025 109362-94-9*0 Trioxygen difluoride FOOOF (g) 116.8 111.3 ± 7.8 kJ/mol 85.99501 ± 0.00090 16829-28-0*0 Oxygen difluoride cation [FOF]+ (g) 1292.21 1289.69 ± 0.67 kJ/mol 53.99566 ± 0.00030 39432-25-2*0 Nitric acid monohydrate HNO3(H2O) (cr,l) -479.17 -472.67 ± 0.19 kJ/mol 81.0282 ± 0.0012 13444-82-1*500 o-Benzyne cation [C6H4]+ (g) 1398.9 1391.4 ± 2.9 kJ/mol 76.0954 ± 0.0048 70220-84-7*0 Nitrosyl nitrate ONONO2 (g, t) 48.2 40.3 ± 1.8 kJ/mol 92.0111 ± 0.0012 15969-55-8*1 Toluene C6H5CH3 (l) 19.99 12.23 ± 0.36 kJ/mol 92.1384 ± 0.0056 108-88-3*500 Benzaldehyde C6H5C(O)H (cr,l) -85.6 -86.7 ± 1.1 kJ/mol 106.1219 ± 0.0056 100-52-7*500 Hydrogen bromide HBr (aq, 1000 H2O) -120.41 ± 0.16 kJ/mol 80.9119 ± 0.0010 10035-10-6*839 Fluorosyl fluoride anion [FFO]- (g) -53.5 -53.0 ± 6.1 kJ/mol 53.99675 ± 0.00030 *86825-57-2*0 Dioxygen O2 (g, singlet) 94.410 94.383 ± 0.000 kJ/mol 31.99880 ± 0.00060 7782-44-7*2 Oxygen difluoride anion [FOF]- (g) -194.0 -194.4 ± 3.8 kJ/mol 53.99675 ± 0.00030 *7783-41-7*0 Iodobenzene cation [C6H5I]+ (g) 1022.6 1007.1 ± 1.0 kJ/mol 204.0078 ± 0.0048 38406-85-8*0 Peroxynitrous acid HOONO (g) -5.99 -12.62 ± 0.36 kJ/mol 63.01288 ± 0.00091 14691-52-2*0 Nitrosobenzene C6H5NO (g) 215.4 198.4 ± 1.5 kJ/mol 107.1100 ± 0.0048 586-96-9*0 2,4,5-Trioxa-1,3-diazabicyclo[1.1.1]pentane N(O3)N (g) 602.2 593.0 ± 1.8 kJ/mol 76.01168 ± 0.00091 224950-18-9*0 Hydrogen fluoride HF (aq, 400 H2O) -321.48 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*832 Nitromethane CH3N(O)O (cr,l) -114.20 -113.01 ± 0.44 kJ/mol 61.0401 ± 0.0010 75-52-5*500 2,2,4-Trimethylpentane (CH3)2CHCH2C(CH3)3 (l) -224.5 -258.9 ± 1.5 kJ/mol 114.2285 ± 0.0065 540-84-1*500 Trifluoroethylene C2HF3 (g) -482.8 -487.8 ± 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) -365.46 ± 0.54 kJ/mol 86.0892 ± 0.0033 431-03-8*500 2,3-Butanedione (CH3CO)2 (g) -309.87 -326.44 ± 0.78 kJ/mol 86.0892 ± 0.0033 431-03-8*0 Succinic acid (CH2COOH)2 (cr,l) -918.55 -940.28 ± 0.13 kJ/mol 118.0880 ± 0.0034 110-15-6*500 1-Propynylium [CH3CC]+ (g) 1545.8 1543.9 ± 2.6 kJ/mol 39.0554 ± 0.0024 24858-94-4*0 Hydrazoic acid cation [HNNN]+ (g) 1333.77 1328.10 ± 0.82 kJ/mol 43.02761 ± 0.00022 58852-14-5*0 Oxygen atom hexacation [O]+6 (g) 42035.28 42037.14 ± 0.12 kJ/mol 15.99611 ± 0.00030 14158-22-6*0 1,2-Diiodoethane (CIH2)2 (g) 87.79 73.12 ± 0.90 kJ/mol 281.8621 ± 0.0016 624-73-7*0 1,2-Diiodoethane (CIH2)2 (cr,l) 9.26 ± 0.60 kJ/mol 281.8621 ± 0.0016 624-73-7*500 Methylamine CH3NH2 (l) -44.83 ± 0.52 kJ/mol 31.05714 ± 0.00088 74-89-5*500 1,1-Dibromoethane CHBr2CH3 (g) -9.3 -36.3 ± 7.8 kJ/mol 187.8612 ± 0.0026 557-91-5*0 Xenon hydride cation [XeH]+ (g) 1038.39 1036.61 ± 0.93 kJ/mol 132.2974 ± 0.0200 37276-91-8*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) -238.930 -241.833 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*2 1,3-Butadiynyl anion [CCCC]- (g) 677.6 686.7 ± 1.1 kJ/mol 48.0433 ± 0.0032 59158-53-1*0 1,2-Propadien-1-ylium-1-yl-3-ylidene [CCC]+ (g) 1948.3 1956.2 ± 2.0 kJ/mol 36.0316 ± 0.0024 118090-85-0*0 Carbon monoxide CO (g, singlet) -113.803 -110.523 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*2 Oxoniumyl ion [H2O]+ (g, ortho) 978.472 975.569 ± 0.029 kJ/mol 18.01473 ± 0.00033 56583-62-1*1 Iodine monochloride ICl (l) -24.048 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*590 Water trimer (H2O)3 (g) -762.73 -776.83 ± 0.21 kJ/mol 54.04584 ± 0.00099 31014-12-7*0 Oxygen atom octacation [O]+8 (g) 197444.7 197446.6 ± 1.2 kJ/mol 15.99501 ± 0.00030 21450-98-6*0 Nitrosyl nitrite anion [ONONO]- (g, t, c) -99.3 -102.5 ± 2.7 kJ/mol 76.01223 ± 0.00091 *122413-35-8*2 Propylene cation [CH3CHCH2]+ (g) 975.10 962.14 ± 0.35 kJ/mol 42.0792 ± 0.0024 34504-10-4*0 3H-Diazirin-3-ylidene C(NN) (g) 578.0 578.4 ± 4.0 kJ/mol 40.02418 ± 0.00081 253308-70-2*0 Oxygen atom tetracation [O]+4 (g) 17719.207 17721.064 ± 0.025 kJ/mol 15.99721 ± 0.00030 14127-65-2*0 Tetrabromomethane CBr4 (cr, monoclinic) 47.4 ± 1.3 kJ/mol 331.6267 ± 0.0041 558-13-4*500 Trihydrogen cation [H3]+ (g, para) 1110.304 1106.697 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*2 Tetraiodomethane CI4 (cr, monoclinic) 392.5 ± 8.0 kJ/mol 519.62858 ± 0.00081 507-25-5*500 Methyl bromide CH3Br (l) -56.08 -59.10 ± 0.27 kJ/mol 94.9385 ± 0.0013 74-83-9*590 Fluorine atom F (g, 2P3/2) 77.264 79.048 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*1 Acetylene anion [HCCH]- (g) 357.4 357.2 ± 1.8 kJ/mol 26.0378 ± 0.0016 50443-89-5*0 Water H2O (cr) -286.300 -292.741 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*510 Dinitrogen dimer (N2)2 (g) -0.88 0.84 ± 0.67 kJ/mol 56.02696 ± 0.00028 *7727-37-9*0 Trioxirane cation [O(OO)]+ (g) 1444.4 1442.3 ± 2.3 kJ/mol 47.99765 ± 0.00090 *153851-84-4*0 Dioxaziridine HN(OO) (g) 277.2 270.5 ± 2.0 kJ/mol 47.01348 ± 0.00061 67394-35-8*0 Dihydrogen H2 (g, para) -0.000 -0.058 ± 0.000 kJ/mol 2.01588 ± 0.00014 1333-74-0*2 Hydrogen peroxide H2O2 (g, para) -129.471 -135.457 ± 0.064 kJ/mol 34.01468 ± 0.00062 7722-84-1*2 Methylene CH2 (g) 390.96 391.52 ± 0.12 kJ/mol 14.02658 ± 0.00081 2465-56-7*0 Oxygen atom heptacation [O]+7 (g) 113366.4 113368.3 ± 1.2 kJ/mol 15.99556 ± 0.00030 14274-89-6*0 Tetraoxodinitrate anion [O2NNO2]- (g) -184.6 -187.8 ± 2.4 kJ/mol 92.0116 ± 0.0012 63552-02-3*0 Trihydrogen H(HH) (g, 2s 2A1' Ry) 745.878 743.094 ± 0.062 kJ/mol 3.02382 ± 0.00021 12184-91-7*1 Oxonium [H3O]+ (g, para) 605.85 599.10 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*2 Chloryl ion [OClO]+ (g) 1099.83 1097.15 ± 0.54 kJ/mol 67.4510 ± 0.0011 25052-55-5*0 Cyclopropane cation [CH2(CH2CH2)]+ (g) 1021.7 1006.3 ± 1.6 kJ/mol 42.0792 ± 0.0024 34496-93-0*0 Hydroxylamine NH2OH (g) -33.12 -43.49 ± 0.49 kJ/mol 33.02996 ± 0.00037 7803-49-8*0 1,3-Cyclopentadiene CH2(CHCHCHCH) (l) 108.76 ± 0.61 kJ/mol 66.1011 ± 0.0040 542-92-7*590 Chlorite [OClO]- (g) -105.94 -108.11 ± 0.38 kJ/mol 67.4520 ± 0.0011 14998-27-7*0 Oxygen fluoride OOF2 (g) 75.5 71.2 ± 7.8 kJ/mol 69.99561 ± 0.00060 183051-89-0*0 Ammonium hydroxide NH4OH (aq, undissoc) -366.715 ± 0.062 kJ/mol 35.04584 ± 0.00047 1336-21-6*1000 Hydrazoic acid HNNN (aq, undissoc) 257.63 ± 0.48 kJ/mol 43.02816 ± 0.00022 7782-79-8*1000 Oxygen atom pentacation [O]+5 (g) 28708.788 28710.646 ± 0.053 kJ/mol 15.99666 ± 0.00030 14127-66-3*0 Hydrazoic acid HNNN (aq) 272.62 ± 0.47 kJ/mol 43.02816 ± 0.00022 7782-79-8*800 Formaldehyde H2CO (cr, polyoxymethylene) -170.88 ± 0.21 kJ/mol 30.02598 ± 0.00087 50-00-0*501 Formaldehyde H2CO (aq) -171.16 ± 0.59 kJ/mol 30.02598 ± 0.00087 50-00-0*800 mu-Oxodichlorine cation [ClOCl]+ (g) 1130.42 1126.81 ± 0.63 kJ/mol 86.9043 ± 0.0018 51174-96-0*0 Dioxofluorine cation [OFO]+ (g) 1666.7 1664.5 ± 2.8 kJ/mol 50.99665 ± 0.00060 223566-05-0*0 Ethyl bromide CH3CH2Br (l) -55.54 -91.07 ± 0.27 kJ/mol 108.9651 ± 0.0019 74-96-4*500 Hydroxyoxoammoniumyl [HONO]+ (g, cis) 1014.8 1008.5 ± 1.8 kJ/mol 47.01293 ± 0.00061 80371-48-8*2 Nitrous acid anion [HONO]- (g, trans) -106.0 -110.0 ± 2.1 kJ/mol 47.01403 ± 0.00061 256393-36-9*1 Vinyl iodide CH2CHI (g) 139.7 130.9 ± 1.2 kJ/mol 153.9497 ± 0.0016 593-66-8*0 Iodine atom I (g, 2P1/2) 198.109 197.709 ± 0.0021 kJ/mol 126.904470 ± 0.000030 14362-44-8*2 Ethynylene C2 (g, singlet) 820.21 826.78 ± 0.27 kJ/mol 24.0214 ± 0.0016 12070-15-4*2 Hydrazine monohydrate (H2NNH2)(H2O) (l) -242.66 ± 0.19 kJ/mol 50.06052 ± 0.00053 7803-57-8*500 Diatomic bromine cation [Br2]+ (g) 1060.33 1045.38 ± 0.23 kJ/mol 159.8075 ± 0.0020 12595-71-0*0 Chlorine atom Cl (g, 2P3/2) 119.621 121.228 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*1 Dihydrogen cation [H2]+ (g, para) 1488.364 1488.480 ± 0.000 kJ/mol 2.01533 ± 0.00014 12184-90-6*2 Hydroxymethylene HCOH (g) 112.40 108.64 ± 0.33 kJ/mol 30.02598 ± 0.00087 19710-56-6*0 1-Hydroxyethyl CH3CHOH (g) -42.17 -55.59 ± 0.61 kJ/mol 45.0605 ± 0.0017 2348-46-1*0 Acetaldehyde CH3CHO (cr,l) -186.95 -191.67 ± 0.33 kJ/mol 44.0526 ± 0.0017 75-07-0*500 Hydrogen peroxide cation [H2O2]+ (g, trans, ortho) 896.87 889.89 ± 0.57 kJ/mol 34.01413 ± 0.00062 12325-10-9*11 Tricarbon dioxide OCCCO (cr,l) -133.0 -117.9 ± 1.2 kJ/mol 68.0309 ± 0.0025 504-64-3*500 Deuteride D- (g) 146.991 148.904 ± 0.0021 kJ/mol 2.01465035791 ± 0.00000000040 14452-69-8*0 Acetic acid CH3C(O)OH (aq, 500 H2O) -484.89 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*833 Oxygen atom dication [O]+2 (g) 4949.459 4953.000 ± 0.013 kJ/mol 15.99830 ± 0.00030 14127-63-0*0 Acetic acid CH3C(O)OH (aq, 10000 H2O) -484.94 ± 0.23 kJ/mol 60.0520 ± 0.0017 64-19-7*850 Hydrogen fluoride HF (aq, 45 H2O) -321.16 ± 0.17 kJ/mol 20.006343 ± 0.000070 7664-39-3*906 Dihydrogen anion [H2]- (g) 253.8 254.7 ± 1.2 kJ/mol 2.01643 ± 0.00014 12184-89-3*0 Hydrogen peroxide cation [H2O2]+ (g, cis, para) 930.91 924.05 ± 0.94 kJ/mol 34.01413 ± 0.00062 12325-10-9*22 Bicyclo[1.1.0]buta-1,3-dien-4-ylium-2-yl [C(CC)C]+ (g) 2087.3 2097.1 ± 2.7 kJ/mol 48.0423 ± 0.0032 289679-91-0*0 Bicyclo[1.1.0]buta-1,3-dien-2-yl anion [C(CC)C]- (g) 803.6 811.2 ± 2.1 kJ/mol 48.0433 ± 0.0032 289679-89-6*0 Tetroxidane HOOOOH (g) -33.5 -44.0 ± 2.4 kJ/mol 66.0135 ± 0.0012 29683-94-1*0 Bromine atom Br (g, 2P3/2) 117.917 111.854 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*1 Methyl formate HC(O)OCH3 (g) -344.75 -357.79 ± 0.58 kJ/mol 60.0520 ± 0.0017 107-31-3*0 Difluorine cation [F2]+ (g) 1514.301 1514.475 ± 0.013 kJ/mol 37.9962578 ± 0.0000010 12184-86-0*0 Hydrogen iodide HI (aq) -56.829 ± 0.089 kJ/mol 127.912410 ± 0.000076 10034-85-2*800 Bromodioxy BrOO (g) 119.2 110.2 ± 4.0 kJ/mol 111.9028 ± 0.0012 67177-47-3*0 mu-Oxodichlorate anion [ClOCl]- (g) -147.8 -147.7 ± 2.5 kJ/mol 86.9053 ± 0.0018 365546-30-1*0 Oxygen atom trication [O]+3 (g) 10249.929 10252.880 ± 0.018 kJ/mol 15.99775 ± 0.00030 14127-64-1*0 Dioxofluorine anion [OFO]- (g) 156.0 154.4 ± 2.5 kJ/mol 50.99775 ± 0.00060 *175861-93-5*0 Deuterium molecule cation [D2]+ (g) 1492.286 1492.361 ± 0.000 kJ/mol 4.02765497609 ± 0.00000000080 12184-84-8*0 (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 1,3-Butadiyn-4-ylium-1-yl [CCCC]+ (g) 2109.8 2120.4 ± 2.9 kJ/mol 48.0423 ± 0.0032 124708-46-9*0 Nitrosyl nitrate ONONO2 (g, cis-perp) 60.4 52.5 ± 1.9 kJ/mol 92.0111 ± 0.0012 15969-55-8*2 Tribromide ion [Br3]- (aq) -129.38 ± 0.26 kJ/mol 239.7125 ± 0.0030 14522-80-6*800 1,2-Dibromoethane (CBrH2)2 (cr,l) -79.4 ± 1.3 kJ/mol 187.8612 ± 0.0026 106-93-4*500 Hydroxylamine NH2OH (cr,l) -107.50 ± 0.65 kJ/mol 33.02996 ± 0.00037 7803-49-8*500 Trihydrogen (H)(HH) (g, vdW) 215.9 218.3 ± 1.1 kJ/mol 3.02382 ± 0.00021 12184-91-7*100 Krypton hydride cation [KrH]+ (g) 1106.49 1104.71 ± 0.70 kJ/mol 84.8074 ± 0.1000 37276-90-7*0 Dioxymethylene HCOO (g, cis-trans equilib) 339.6 337.4 ± 3.1 kJ/mol 45.0174 ± 0.0010 438586-67-5*0 Nitrosyl nitrite ONONO (g) 92.7 87.8 ± 1.2 kJ/mol 76.01168 ± 0.00091 122413-35-8*0 Cyanogen fluoride cation [FCN]+ (g) 1294.6 1295.3 ± 1.1 kJ/mol 45.01529 ± 0.00080 62532-69-8*0 Hydrogen peroxide H2O2 (g, ortho) -129.451 -135.457 ± 0.064 kJ/mol 34.01468 ± 0.00062 7722-84-1*1 Isoformyl anion [COH]- (g) 55.8 58.4 ± 1.8 kJ/mol 29.01859 ± 0.00086 81747-63-9*0 Diazene HNNH (g, trans-cis-iso equilib) 207.35 200.21 ± 0.44 kJ/mol 30.02936 ± 0.00020 3618-05-1*0 Hydrogen difluoride cation [FHF]+ (g) 1253. 1249. ± 20. kJ/mol 39.004198 ± 0.000070 126950-54-7*0 Methyl fluoride cation [CH3F]+ (g) 981.49 973.98 ± 0.62 kJ/mol 34.03237 ± 0.00083 59122-96-2*0 O--HH Complex (H2)(O) (g, vdW Cinfv ?) 247.6 248.9 ± 2.7 kJ/mol 18.01528 ± 0.00033 *7732-18-5*101 Hydroperoxonium [H2OOH]+ (g) 738.17 727.91 ± 0.98 kJ/mol 35.02207 ± 0.00064 70850-26-9*0 Water H2O (g, ortho) -238.646 -241.833 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*1 Cyanogen fluoride anion [FCN]- (g) -21.3 -19.4 ± 3.3 kJ/mol 45.01639 ± 0.00080 34507-50-1*0 Methyl fluoride CH3F (l) -246.07 ± 0.45 kJ/mol 34.03292 ± 0.00083 593-53-3*590 Methyl chloride cation [CH3Cl]+ (g) 1015.03 1007.58 ± 0.25 kJ/mol 50.4867 ± 0.0012 12538-71-5*0 Dicarbon monoxide CCO (g) 376.30 380.34 ± 0.97 kJ/mol 40.0208 ± 0.0016 12071-23-7*0 Methyl chloride CH3Cl (l) -106.05 -102.08 ± 0.25 kJ/mol 50.4872 ± 0.0012 74-87-3*590 Ethyl chloride CH3CH2Cl (cr,l) -134.15 -135.77 ± 0.21 kJ/mol 64.5138 ± 0.0019 75-00-3*500 Hydrazoic acid HNNN (cr,l) 261.50 ± 0.64 kJ/mol 43.02816 ± 0.00022 7782-79-8*500 Methyl bromide cation [CH3Br]+ (g) 996.75 981.84 ± 0.27 kJ/mol 94.9380 ± 0.0013 12538-70-4*0 Ethane anion [C2H6]- (g) 41.9 26.7 ± 4.4 kJ/mol 30.0696 ± 0.0017 54064-82-3*0 Iodine monochloride ICl (cr,l) -36.511 -35.537 ± 0.063 kJ/mol 162.35717 ± 0.00090 7790-99-0*500 Nitrogen atom anion N- (g) 487.6 489.9 ± 2.5 kJ/mol 14.007289 ± 0.000070 17778-87-9*0 2-Cyclopropyn-1-ylidene C(CC) (g) 899.2 906.1 ± 1.5 kJ/mol 36.0321 ± 0.0024 102508-15-6*0 3-Chloro-3-methyl-3H-diazirine (NNC)ClCH3 (g) 230. 218. ± 40. kJ/mol 90.5114 ± 0.0019 4222-21-3*0 Methyl iodide cation [CH3I]+ (g) 944.77 935.37 ± 0.17 kJ/mol 141.93844 ± 0.00083 12538-72-6*0 Imidogen NH (g, singlet) 509.32 509.37 ± 0.18 kJ/mol 15.014680 ± 0.000099 13774-92-0*2 Fluoroform CF3H (l) -704.33 ± 0.46 kJ/mol 70.01385 ± 0.00080 75-46-7*590 Oxonium [H3O]+ (g, ortho) 605.91 599.10 ± 0.17 kJ/mol 19.02267 ± 0.00037 13968-08-6*1 Nitrosyl nitrite anion [ONONO]- (g) -102.3 -105.4 ± 2.6 kJ/mol 76.01223 ± 0.00091 *122413-35-8*0 Trihydrogen HHH (g, TS) 254.5 250.7 ± 1.2 kJ/mol 3.02382 ± 0.00021 12184-91-7*200 1,2-Propadien-1-yl-3-ylidene anion [CCC]- (g, lin) 621.5 628.9 ± 1.2 kJ/mol 36.0326 ± 0.0024 109292-47-9*1 Dinitrogen dioxide ONNO (g) 172.89 171.12 ± 0.14 kJ/mol 60.01228 ± 0.00062 16824-89-8*0 Iminomethyl HCNH (g, trans-cis equilib) 275.92 272.32 ± 0.84 kJ/mol 28.03332 ± 0.00082 15691-95-9*0 Cyclopropane CH2(CH2CH2) (l) 35.55 ± 0.58 kJ/mol 42.0797 ± 0.0024 75-19-4*500 Isocyanogen fluoride FNC (g) 300.3 302.2 ± 2.0 kJ/mol 45.01584 ± 0.00080 16992-26-0*0 Iminomethyl anion [HCNH]- (g) 238.9 235.2 ± 1.9 kJ/mol 28.03387 ± 0.00082 90623-30-6*0 Trihydrogen H(HH) (g, Ry) 745.878 743.199 ± 0.062 kJ/mol 3.02382 ± 0.00021 12184-91-7*0 Hydrazoic acid anion [HNNN]- (g) 309.0 303.2 ± 2.3 kJ/mol 43.02871 ± 0.00022 203264-98-6*0 Formic acid cation [HC(O)OH]+ (g) 721.86 715.32 ± 0.26 kJ/mol 46.0248 ± 0.0010 50614-05-6*0 Fluoro(fluorooxy)methylene FCOF (g) -135.8 -137.0 ± 2.0 kJ/mol 66.00691 ± 0.00085 479587-30-9*0 Formic acid anion [HC(O)OH]- (g) -255.6 -261.7 ± 1.7 kJ/mol 46.0259 ± 0.0010 19066-82-1*0 COC vdW (CO)(C) (g) 589.8 598.6 ± 1.8 kJ/mol 40.0208 ± 0.0016 *12071-24-8*0 Hydroxyamidogen HNOH (g) 101.5 94.7 ± 1.0 kJ/mol 32.02202 ± 0.00034 13940-32-4*0 Oxonium [H3O]+ (aq) -285.828 ± 0.027 kJ/mol 19.02267 ± 0.00037 13968-08-6*800 Trioxodinitrate anion [ONNO2]- (g) -104.4 -108.4 ± 2.3 kJ/mol 76.01223 ± 0.00091 194856-62-7*0 Hydroperoxyimidogen HOON (g, cis) 111.8 108.9 ± 2.8 kJ/mol 47.01348 ± 0.00061 877456-58-1*2 Propynylidene HCCCH (g, singlet) 597.6 599.4 ± 1.2 kJ/mol 38.0480 ± 0.0024 67152-18-5*2 Phosgene COCl2 (cr, l, I+liquid) -242.72 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*501 Phosgene COCl2 (cr, l, II+liquid) -255.42 -242.72 ± 0.27 kJ/mol 98.9155 ± 0.0020 75-44-5*502 Hydroxymethylene cation [HCOH]+ (g) 971.9 968.3 ± 1.3 kJ/mol 30.02543 ± 0.00087 135395-06-1*0 Cyanogen chloride cation [ClCN]+ (g) 1325.97 1327.30 ± 0.94 kJ/mol 61.4696 ± 0.0012 37612-72-9*0 Isocyanogen chloride ClNC (g) 314.8 316.6 ± 2.1 kJ/mol 61.4701 ± 0.0012 75754-69-7*0 Dioxyamidogen HNOO (g, trans) 251.1 244.5 ± 2.5 kJ/mol 47.01348 ± 0.00061 71843-95-3*1 Hydroperoxonium [H2OOH]+ (g, cis) 762.6 752.7 ± 1.9 kJ/mol 35.02207 ± 0.00064 70850-26-9*2 Cyclopropylium [CH(CH2CH2)]+ (g) 1104.9 1093.4 ± 4.1 kJ/mol 41.0713 ± 0.0024 1724-43-2*0 Nitrous acid anion [HONO]- (g) -107.4 -110.9 ± 2.1 kJ/mol 47.01403 ± 0.00061 256393-36-9*0 Dioxygen O2 (g, triplet) 0.000 0.000 ± 0.000 kJ/mol 31.99880 ± 0.00060 7782-44-7*1 Diazene anion [HNNH]- (g, trans-cis-iso equilib) 269.3 262.4 ± 1.7 kJ/mol 30.02991 ± 0.00020 100429-75-2*0 Allyl anion [CH2CHCH2]- (g) 133.26 123.51 ± 0.92 kJ/mol 41.0723 ± 0.0024 1724-46-5*0 2-Iodoethanol ICH2CH2OH (g) -132.0 -150.2 ± 2.5 kJ/mol 171.9650 ± 0.0017 624-76-0*0 Diazene HNNH (g, trans-cis equilib) 207.35 200.21 ± 0.44 kJ/mol 30.02936 ± 0.00020 3618-05-1*1 Ethynylene C2 (g, triplet) 827.38 834.08 ± 0.27 kJ/mol 24.0214 ± 0.0016 12070-15-4*1 Hydrogen peroxide cation [H2O2]+ (g) 896.87 889.89 ± 0.57 kJ/mol 34.01413 ± 0.00062 12325-10-9*0 Hydroxyformyl HOCO (g, trans-cis equilib) -180.96 -183.53 ± 0.48 kJ/mol 45.0174 ± 0.0010 2564-86-5*0 Cyanogen bromide cation [BrCN]+ (g) 1330.2 1323.9 ± 1.1 kJ/mol 105.9209 ± 0.0013 34749-77-4*0 Bromoform CBr3H (l) 2.1 ± 1.3 kJ/mol 252.7306 ± 0.0031 75-25-2*590 Hydroxyformyl anion [HOCO]- (g, trans-cis equilib) -319.36 -321.43 ± 0.58 kJ/mol 45.0180 ± 0.0010 78944-70-4*0 Hydroxymethylene anion [HCOH]- (g) 147.4 144.5 ± 1.4 kJ/mol 30.02653 ± 0.00087 207914-87-2*0 Benzene anion [C6H6]- (g) 208.3 196.0 ± 3.0 kJ/mol 78.1124 ± 0.0048 34562-85-1*0 Dichlorine cation [Cl2]+ (g) 1108.287 1108.266 ± 0.013 kJ/mol 70.9049 ± 0.0018 12595-90-3*0 Water dimer cation [(H2O)2]+ (g) 556.8 546.4 ± 3.0 kJ/mol 36.03001 ± 0.00066 158061-35-9*0 Hydrogen peroxide cation [H2O2]+ (g, trans, para) 896.89 889.89 ± 0.57 kJ/mol 34.01413 ± 0.00062 12325-10-9*12 Vinyl alcohol CH2CHOH (g, syn-anti equilib) -112.55 -122.93 ± 0.84 kJ/mol 44.0526 ± 0.0017 557-75-5*0 O--HH Complex (H2)(O) (g, vdW C2v ?) 247.2 248.2 ± 2.0 kJ/mol 18.01528 ± 0.00033 *7732-18-5*102 Methylene fluoride CH2F2 (l) -467.00 ± 0.38 kJ/mol 52.02339 ± 0.00081 75-10-5*590 Ethylene anion [C2H4]- (g) 232.1 225.6 ± 2.0 kJ/mol 28.0537 ± 0.0016 34527-91-8*0 Trihydrogen H(HH) (g, TS) 477.4 474.7 ± 2.3 kJ/mol 3.02382 ± 0.00021 12184-91-7*201 Hydrogen cyanide anion [HCN]- (g) 129.508 129.030 ± 0.091 kJ/mol 27.02593 ± 0.00081 12334-27-9*0 2-Hydroxyethyl CH2CH2OH (g) -12.79 -26.06 ± 0.61 kJ/mol 45.0605 ± 0.0017 4422-54-2*0 Methane anion [CH4]- (g) 10.6 2.6 ± 4.8 kJ/mol 16.04301 ± 0.00085 27680-53-1*0 Chlorine atom Cl (g, 2P1/2) 130.176 131.783 ± 0.0011 kJ/mol 35.45270 ± 0.00090 22537-15-1*2 Isocyanogen bromide BrNC (g) 343.3 337.6 ± 3.1 kJ/mol 105.9214 ± 0.0013 65997-98-0*0 Hydroxyaminylium [HNOH]+ (g) 1020.2 1013.0 ± 2.0 kJ/mol 32.02147 ± 0.00034 66097-71-0*0 Diazene anion [HNNH]- (g, trans-cis equilib) 269.3 262.4 ± 1.7 kJ/mol 30.02991 ± 0.00020 100429-75-2*1 Iodosyl ion [IO]+ (g) 1066.1 1064.1 ± 2.0 kJ/mol 142.90332 ± 0.00030 81182-81-2*0 Diisocyanogen cation [CNNC]+ (g, trans-cis equilib) 1823.0 1826.0 ± 3.5 kJ/mol 52.0343 ± 0.0016 *78800-21-2*0 Oxide [O]-2 (g) 651. 653. ± 15. kJ/mol 16.00050 ± 0.00030 16833-27-5*0 Diazene cation [HNNH]+ (g, trans-iso-cis equilib) 1132.58 1125.91 ± 0.67 kJ/mol 30.02881 ± 0.00020 76986-17-9*0 Imidogen NH (g, triplet) 358.73 358.77 ± 0.17 kJ/mol 15.014680 ± 0.000099 13774-92-0*1 Propargylenide [HCCCH]- (g) 434.6 437.8 ± 1.1 kJ/mol 38.0485 ± 0.0024 82906-05-6*0 Bromine atom Br (g, 2P1/2) 162.001 155.938 ± 0.056 kJ/mol 79.90400 ± 0.00100 10097-32-2*2 Carbon monoxide CO (g, triplet) 465.579 469.286 ± 0.026 kJ/mol 28.01010 ± 0.00085 630-08-0*1 Dinitrogen dioxide ONNO (g, trans) 192.2 188.7 ± 1.8 kJ/mol 60.01228 ± 0.00062 16824-89-8*1 C=O-C cation [COC]+ (g) 1576.2 1583.3 ± 2.3 kJ/mol 40.0203 ± 0.0016 83483-98-1*0 Dinitrogen tetraoxide O2NNO2 (cr,l) -37.87 -27.02 ± 0.19 kJ/mol 92.0111 ± 0.0012 10544-72-6*500 Methoxycarbonyl C(O)OCH3 (g) -149.8 -157.5 ± 1.9 kJ/mol 59.0440 ± 0.0017 16481-04-2*0 Diazene cation [HNNH]+ (g, trans-cis equilib) 1132.58 1125.67 ± 0.67 kJ/mol 30.02881 ± 0.00020 76986-17-9*1 2-Hydroxyethylium [CH2CH2OH]+ (g) 1019.6 1007.5 ± 1.6 kJ/mol 45.0600 ± 0.0017 38607-31-7*0 Dinitrogen anion [N2]- (g) 193.6 193.6 ± 1.6 kJ/mol 28.01403 ± 0.00014 12185-02-3*0 (Formyloxy)methyl HC(O)OCH2 (g) -148.7 -156.8 ± 1.5 kJ/mol 59.0440 ± 0.0017 3122-12-1*0 Fluorine atom F (g, 2P1/2) 82.098 83.883 ± 0.048 kJ/mol 18.99840320 ± 0.00000050 14762-94-8*2 Hydrogen peroxide H2O2 (aq) -190.75 ± 0.30 kJ/mol 34.01468 ± 0.00062 7722-84-1*800 Carbon atom C (diamond) 2.391 1.863 ± 0.044 kJ/mol 12.01070 ± 0.00080 7440-44-0*501 Methyl nitrite CH3ONO (g, trans) -52.35 -64.30 ± 0.89 kJ/mol 61.0401 ± 0.0010 624-91-9*1 Methyl nitrite CH3ONO (cr,l) -88.69 ± 0.56 kJ/mol 61.0401 ± 0.0010 624-91-9*500 Carbonic acid C(O)(OH)2 (g) -602.78 -612.09 ± 0.79 kJ/mol 62.0248 ± 0.0012 463-79-6*0 2,2,4-Trimethylpentane (CH3)2CHCH2C(CH3)3 (g) -171.3 -223.7 ± 1.5 kJ/mol 114.2285 ± 0.0065 540-84-1*0 Water H2O (cr, l, eq.press.) -286.302 -285.830 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*499 Isocyanogen anion [CNCN]- (g, trans-cis equilib) 383.9 388.0 ± 2.5 kJ/mol 52.0354 ± 0.0016 *83951-85-3*0 Trihydrogen cation [H3]+ (g, ortho) 1110.577 1106.695 ± 0.013 kJ/mol 3.02327 ± 0.00021 28132-48-1*1 Water anion [H2O]- (g) -50.1 -53.0 ± 4.3 kJ/mol 18.01583 ± 0.00033 12259-30-2*0 Water H2O (cr, eq.press.) -286.302 -292.743 ± 0.027 kJ/mol 18.01528 ± 0.00033 7732-18-5*509 Dioxygen difluoride cation [FOOF]+ (g) 1291.4 1288.2 ± 4.6 kJ/mol 69.99506 ± 0.00060 *7783-44-0*0 Peroxyformic acid HC(O)OOH (g) -279.8 -288.9 ± 1.1 kJ/mol 62.0248 ± 0.0012 107-32-4*0 Hydrogen isocyanide anion [HNC]- (g) 191.56 191.74 ± 0.38 kJ/mol 27.02593 ± 0.00081 96913-22-3*0 Succinic acid (CH2COOH)2 (g) -795.63 -817.77 ± 0.61 kJ/mol 118.0880 ± 0.0034 110-15-6*0 Diiodine cation [I2]+ (g) 963.523 960.408 ± 0.018 kJ/mol 253.808391 ± 0.000060 28712-14-3*0 Oxirene O(CHCH) (g) 272.81 272.12 ± 0.98 kJ/mol 42.0367 ± 0.0016 157-18-6*0 Oxirene O(CHCH) (g, triplet) 388.7 385.4 ± 2.6 kJ/mol 42.0367 ± 0.0016 157-18-6*1 Hydrodioxonitrogen cation [HN(O)O]+ (g) 1129.6 1123.0 ± 3.2 kJ/mol 47.01293 ± 0.00061 252986-76-8*0 Ethylidene CH3CH (g) 361.45 354.47 ± 0.82 kJ/mol 28.0532 ± 0.0016 4218-50-2*0 Oxoniumyl ion [H2O]+ (g, para) 978.722 975.571 ± 0.029 kJ/mol 18.01473 ± 0.00033 56583-62-1*2 Hydrogen peroxide cation [H2O2]+ (g, cis, ortho) 930.94 924.05 ± 0.94 kJ/mol 34.01413 ± 0.00062 12325-10-9*21 Vinyl alcohol cation [CH2CHOH]+ (g, anti-syn equilib) 779.2 768.3 ± 1.2 kJ/mol 44.0520 ± 0.0017 57239-63-1*0 Methanediol CH2(OH)2 (g) -379.05 -392.44 ± 0.95 kJ/mol 48.0413 ± 0.0010 463-57-0*0 Trioxidanyl HOOO (g, cis) 26.29 23.01 ± 0.19 kJ/mol 49.00614 ± 0.00090 12500-78-6*2 Cyanogen NCCN (cr,l) 273.93 289.18 ± 0.43 kJ/mol 52.0349 ± 0.0016 460-19-5*500 1,1-Dibromoethane CHBr2CH3 (cr,l) -66.4 ± 1.4 kJ/mol 187.8612 ± 0.0026 557-91-5*500 Xenon dication [Xe]+2 (g) 3194.14 3194.14 ± 0.36 kJ/mol 131.2889 ± 0.0200 14066-95-6*0 Trioxidaniumyl [HOOOH]+ (g) 927.1 918.2 ± 1.3 kJ/mol 50.01353 ± 0.00091 161321-37-5*0 Hydrodioxonitrate [HN(O)O]- (g) -62.4 -68.8 ± 3.3 kJ/mol 47.01403 ± 0.00061 61508-71-2*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. ± 76. kJ/mol 39.94855 ± 0.00100 16544-90-4*1 Argon anion Ar- (g) 23. 23. ± 76. kJ/mol 39.94855 ± 0.00100 16544-90-4*0 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 Neon cation Ne+ (g) 2080.662 2080.769 ± 0.0011 kJ/mol 20.17915 ± 0.00060 14782-23-1*0 Argon cation Ar+ (g) 1520.571 1520.580 ± 0.0011 kJ/mol 39.94745 ± 0.00100 14791-69-6*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 Argon anion Ar- (g, 4S3/2) 1111.116 1111.116 ± 0.099 kJ/mol 39.94855 ± 0.00100 16544-90-4*2 Argon dimer Ar2 (g) -1.012 -6.346 ± 0.0092 kJ/mol 79.8960 ± 0.0020 12595-59-4*0 Hydron H+ (aq) 0 0 exact 1.007391 ± 0.000070 12408-02-5*800
References
1
B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner,
Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited.
J. Phys. Chem. A 108 , 9979-9997 (2004)
[DOI: 10.1021/jp047912y]
2
B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner,
Active Thermochemical Tables: Thermochemistry for the 21st Century.
J. Phys. Conf. Ser. 16 , 561-570 (2005)
[DOI: 10.1088/1742-6596/16/1/078]
3
B. Ruscic and D. H. Bross, Active Thermochemical Tables (ATcT) values based on ver. 1.122b of the Thermochemical Network (2016); 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
S. J. Klippenstein, L. B. Harding, and B. Ruscic,
Ab initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species.
J. Phys. Chem. A 121 , 6580-6602 (2017)
[DOI: 10.1021/acs.jpca.7b05945]
6
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]
7
B. Ruscic,
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables.
Int. J. Quantum Chem. 114 , 1097-1101 (2014)
[DOI: 10.1002/qua.24605]
Formula
The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.
Uncertainties
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [7 ]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
Website Functionality Credits
The reorganization of the website was developed and implemented by David H. Bross (ANL).
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict .
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/ .
Acknowledgement
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.
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