ATcT [1, 2] enthalpies of formation based on version 1.118 of the Thermochemical Network [3]
Below is a list of 0 K and 298.15 K enthalpies of formation
for all 1058 species included in version 1.118 (as of 10/29/2015).
This version of ATcT results was partially described in Ruscic et al. [4],
and was also used for the initial development of high-accuracy ANLn composite electronic structure methods [5].
The elements in their standard states are listed first; the listing order of the other species follows the actual order from the ATcT solution file,
which roughly reflects the number of thermochemically-relevant determinations that include the species in question (highest first).
The intent is to convey a very approximate indication of the robustness of the listed values, which is generally higher toward the top of the list
and lower toward the bottom.
For species other than elements in their standard states, the Species Name acts as a link to the page
itemizing the most important contributors to the provenance of its ATcT enthalpy of formation.
(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.)
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Species Name |
Formula |
ΔfH°(0 K) |
ΔfH°(298.15 K) |
Uncertainty |
Units |
Relative Molecular Mass |
ATcT ID |
Dihydrogen | H2 (g) | 0 | 0 | exact | | 2.01588 ± 0.00014 | 1333-74-0*0 | Dioxygen | O2 (g) | 0 | 0 | exact | | 31.99880 ± 0.00060 | 7782-44-7*0 | Graphite | 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 | Difluorine | F2 (g) | 0 | 0 | exact | | 37.9968064 ± 0.0000010 | 7782-41-4*0 | Dichlorine | Cl2 (g) | 0 | 0 | exact | | 70.9054 ± 0.0018 | 7782-50-5*0 | Dibromine | Br2 (cr,l) | 0 | 0 | exact | | 159.8080 ± 0.0020 | 7726-95-6*500 | Diiodine | I2 (cr,l) | 0 | 0 | exact | | 253.808940 ± 0.000060 | 7553-56-2*500 | Helium | He (g) | 0 | 0 | exact | | 4.0026020 ± 0.0000020 | 7440-59-7*0 | Neon | Ne (g) | 0 | 0 | exact | | 20.17970 ± 0.00060 | 7440-01-9*0 | Argon | Ar (g) | 0 | 0 | exact | | 39.9480 ± 0.0010 | 7440-37-1*0 | Krypton | Kr (g) | 0 | 0 | exact | | 83.8000 ± 0.1000 | 7439-90-9*0 | Xenon | Xe (g) | 0 | 0 | exact | | 131.2900 ± 0.0200 | 7440-63-3*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) | 711.395 | 716.880 | ± 0.055 | 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) | 470.573 | 472.435 | ± 0.024 | kJ/mol | 14.006740 ± 0.000070 | 17778-88-0*0 | Fluorine atom | F (g) | 77.287 | 79.393 | ± 0.055 | kJ/mol | 18.99840320 ± 0.00000050 | 14762-94-8*0 | Carbon dioxide | CO2 (g) | -393.108 | -393.474 | ± 0.015 | kJ/mol | 44.0095 ± 0.0010 | 124-38-9*0 | Water | H2O (cr,l) | -286.297 | -285.825 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*500 | Methane | CH4 (g) | -66.564 | -74.533 | ± 0.057 | kJ/mol | 16.04246 ± 0.00085 | 74-82-8*0 | Bromine atom | Br (g) | 117.914 | 111.852 | ± 0.056 | kJ/mol | 79.9040 ± 0.0010 | 10097-32-2*0 | Water | H2O (g) | -238.928 | -241.831 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*0 | Chlorine atom | Cl (g) | 119.621 | 121.302 | ± 0.0021 | kJ/mol | 35.45270 ± 0.00090 | 22537-15-1*0 | Hydron | H+ (g) | 1528.084 | 1530.047 | ± 0.000 | kJ/mol | 1.007391 ± 0.000070 | 12408-02-5*0 | Hydrogen chloride | HCl (g) | -91.989 | -92.173 | ± 0.0062 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*0 | Hydroxyl | OH (g) | 37.253 | 37.492 | ± 0.026 | kJ/mol | 17.00734 ± 0.00031 | 3352-57-6*0 | Hydrogen bromide | HBr (g) | -27.97 | -35.81 | ± 0.15 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*0 | Carbon monoxide | CO (g) | -113.802 | -110.522 | ± 0.026 | kJ/mol | 28.01010 ± 0.00085 | 630-08-0*0 | Hydrogen fluoride | HF (g) | -272.644 | -272.691 | ± 0.055 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*0 | Ethylene | C2H4 (g) | 61.05 | 52.53 | ± 0.14 | kJ/mol | 28.0532 ± 0.0016 | 74-85-1*0 | Iodine atom | I (g) | 107.157 | 106.757 | ± 0.0021 | kJ/mol | 126.904470 ± 0.000030 | 14362-44-8*0 | Ethane | C2H6 (g) | -68.12 | -83.75 | ± 0.15 | kJ/mol | 30.0690 ± 0.0017 | 74-84-0*0 | Acetylene | HCCH (g) | 228.87 | 228.31 | ± 0.14 | kJ/mol | 26.0373 ± 0.0016 | 74-86-2*0 | Methyl radical | CH3 (g) | 149.841 | 146.427 | ± 0.080 | kJ/mol | 15.03452 ± 0.00083 | 2229-07-4*0 | Methanol | CH3OH (g) | -189.84 | -200.72 | ± 0.17 | kJ/mol | 32.04186 ± 0.00090 | 67-56-1*0 | Formaldehyde | H2CO (g) | -105.32 | -109.15 | ± 0.11 | kJ/mol | 30.02598 ± 0.00087 | 50-00-0*0 | Methyl chloride | CH3Cl (g) | -74.74 | -82.68 | ± 0.20 | kJ/mol | 50.4872 ± 0.0012 | 74-87-3*0 | Nitric oxide | NO (g) | 90.586 | 91.090 | ± 0.064 | kJ/mol | 30.00614 ± 0.00031 | 10102-43-9*0 | Hydrogen iodide | HI (g) | 28.643 | 26.468 | ± 0.036 | kJ/mol | 127.912410 ± 0.000076 | 10034-85-2*0 | Hydrogen cyanide | HCN (g) | 129.670 | 129.286 | ± 0.094 | kJ/mol | 27.02538 ± 0.00081 | 74-90-8*0 | Ethanol | CH3CH2OH (g) | -216.87 | -234.58 | ± 0.22 | kJ/mol | 46.0684 ± 0.0017 | 64-17-5*0 | Ammonia | NH3 (g) | -38.568 | -45.561 | ± 0.030 | kJ/mol | 17.03056 ± 0.00022 | 7664-41-7*0 | Methyl fluoride | CH3F (g) | -228.17 | -236.20 | ± 0.28 | kJ/mol | 34.03292 ± 0.00083 | 593-53-3*0 | Methyl bromide | CH3Br (g) | -21.00 | -36.40 | ± 0.18 | kJ/mol | 94.9385 ± 0.0013 | 74-83-9*0 | Nitrogen dioxide | ONO (g) | 36.826 | 34.019 | ± 0.064 | kJ/mol | 46.00554 ± 0.00060 | 10102-44-0*0 | Ethyl | CH3CH2 (g) | 131.04 | 119.97 | ± 0.32 | kJ/mol | 29.0611 ± 0.0016 | 2025-56-1*0 | Hydroxyde | [OH]- (g) | -139.089 | -139.055 | ± 0.026 | kJ/mol | 17.00789 ± 0.00031 | 14280-30-9*0 | Tetrafluoromethane | CF4 (g) | -927.47 | -933.44 | ± 0.26 | kJ/mol | 88.00431 ± 0.00080 | 75-73-0*0 | Fluoride | F- (g) | -250.877 | -249.093 | ± 0.055 | kJ/mol | 18.99895178 ± 0.00000050 | 16984-48-8*0 | Dioxidanyl | HO2 (g) | 15.16 | 12.25 | ± 0.16 | kJ/mol | 33.00674 ± 0.00060 | 3170-83-0*0 | Methylidyne | CH (g) | 592.83 | 596.16 | ± 0.13 | kJ/mol | 13.01864 ± 0.00080 | 3315-37-5*0 | Hydrogen peroxide | H2O2 (g) | -129.468 | -135.453 | ± 0.063 | kJ/mol | 34.01468 ± 0.00062 | 7722-84-1*0 | Dibromine | Br2 (g) | 45.68 | 30.88 | ± 0.11 | kJ/mol | 159.8080 ± 0.0020 | 7726-95-6*0 | Acetaldehyde | CH3CHO (g) | -155.00 | -165.48 | ± 0.31 | kJ/mol | 44.0526 ± 0.0017 | 75-07-0*0 | Propane | CH3CH2CH3 (g) | -82.35 | -104.63 | ± 0.24 | kJ/mol | 44.0956 ± 0.0025 | 74-98-6*0 | Diiodine | I2 (g) | 65.497 | 62.417 | ± 0.0041 | kJ/mol | 253.808940 ± 0.000060 | 7553-56-2*0 | Fluoroform | CF3H (g) | -689.10 | -696.05 | ± 0.44 | kJ/mol | 70.01385 ± 0.00080 | 75-46-7*0 | Hypoflorous acid | HOF (g) | -84.35 | -87.25 | ± 0.19 | kJ/mol | 36.00574 ± 0.00031 | 14034-79-8*0 | Hypochlorous acid | HOCl (g) | -73.874 | -76.814 | ± 0.027 | kJ/mol | 52.46004 ± 0.00095 | 7790-92-3*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) | 24.46 | 14.92 | ± 0.17 | kJ/mol | 141.93899 ± 0.00083 | 74-88-4*0 | Tetrachloromethane | CCl4 (g) | -95.33 | -97.50 | ± 0.74 | kJ/mol | 153.8215 ± 0.0037 | 56-23-5*0 | Benzene | C6H6 (g) | 100.71 | 83.20 | ± 0.26 | kJ/mol | 78.1118 ± 0.0048 | 71-43-2*0 | Trifluoromethyl | CF3 (g) | -465.14 | -467.93 | ± 0.53 | kJ/mol | 69.00591 ± 0.00080 | 2264-21-3*0 | Vinyl | C2H3 (g) | 301.20 | 296.91 | ± 0.38 | kJ/mol | 27.0452 ± 0.0016 | 2669-89-8*0 | Allene | CH2CCH2 (g) | 197.54 | 190.06 | ± 0.32 | kJ/mol | 40.0639 ± 0.0024 | 463-49-0*0 | Propyne | CH3CCH (g) | 192.73 | 185.67 | ± 0.32 | kJ/mol | 40.0639 ± 0.0024 | 74-99-7*0 | Bromide | Br- (g) | -206.623 | -212.685 | ± 0.056 | kJ/mol | 79.9045 ± 0.0010 | 24959-67-9*0 | Iodide | I- (g) | -187.995 | -188.396 | ± 0.0021 | kJ/mol | 126.905019 ± 0.000030 | 20461-54-5*0 | Propylene | CH3CHCH2 (g) | 35.26 | 20.26 | ± 0.29 | kJ/mol | 42.0797 ± 0.0024 | 115-07-1*0 | Difluorophosgene | COF2 (g) | -603.66 | -606.76 | ± 0.53 | kJ/mol | 66.00691 ± 0.00085 | 353-50-4*0 | Imidogen | NH (g) | 358.75 | 358.79 | ± 0.17 | kJ/mol | 15.014680 ± 0.000099 | 13774-92-0*0 | Oxonium | [H3O]+ (g) | 605.55 | 598.80 | ± 0.56 | kJ/mol | 19.02267 ± 0.00037 | 13968-08-6*0 | Methylene | CH2 (g, triplet) | 390.96 | 391.52 | ± 0.14 | kJ/mol | 14.02658 ± 0.00081 | 2465-56-7*1 | Methylene | CH2 (g, singlet) | 428.63 | 429.04 | ± 0.15 | kJ/mol | 14.02658 ± 0.00081 | 2465-56-7*2 | Cyanogen chloride | ClCN (g) | 135.03 | 135.75 | ± 0.45 | kJ/mol | 61.4701 ± 0.0012 | 506-77-4*0 | Tetrabromomethane | CBr4 (g) | 132.0 | 102.3 | ± 1.1 | kJ/mol | 331.6267 ± 0.0041 | 558-13-4*0 | Phenyl | C6H5 (g) | 350.55 | 337.27 | ± 0.59 | kJ/mol | 77.1039 ± 0.0048 | 2396-01-2*0 | Methylium | [CH3]+ (g) | 1099.250 | 1095.306 | ± 0.077 | kJ/mol | 15.03397 ± 0.00083 | 14531-53-4*0 | Methoxide | [CH3O]- (g) | -122.28 | -130.27 | ± 0.37 | kJ/mol | 31.03447 ± 0.00088 | 3315-60-4*0 | Formic acid | HC(O)OH (g, syn) | -371.20 | -378.52 | ± 0.24 | kJ/mol | 46.0254 ± 0.0010 | 64-18-6*1 | Hydroxymethyl | CH2OH (g) | -10.44 | -16.75 | ± 0.32 | kJ/mol | 31.03392 ± 0.00088 | 2597-43-5*0 | Nitric acid | HNO3 (g) | -124.45 | -134.16 | ± 0.18 | kJ/mol | 63.01288 ± 0.00091 | 7697-37-2*0 | Oxomethylium | [HCO]+ (g) | 827.84 | 827.25 | ± 0.11 | kJ/mol | 29.01749 ± 0.00086 | 17030-74-9*0 | Cyano radical | CN (g) | 436.72 | 440.00 | ± 0.15 | kJ/mol | 26.01744 ± 0.00080 | 2074-87-5*0 | Methanetetraylbisamidogen | NCN (g) | 455.9 | 456.4 | ± 1.3 | kJ/mol | 40.02418 ± 0.00081 | 2669-76-3*0 | Ketene | CH2CO (g) | -45.44 | -48.56 | ± 0.15 | kJ/mol | 42.0367 ± 0.0016 | 463-51-4*0 | Methylene fluoride | CH2F2 (g) | -443.42 | -450.99 | ± 0.37 | kJ/mol | 52.02339 ± 0.00081 | 75-10-5*0 | Ozone | OOO (g) | 144.395 | 141.733 | ± 0.039 | kJ/mol | 47.99820 ± 0.00090 | 10028-15-6*0 | Chloride | Cl- (g) | -228.953 | -227.346 | ± 0.0031 | kJ/mol | 35.45325 ± 0.00090 | 16887-00-6*0 | Cyanogen fluoride | FCN (g) | 8.41 | 8.74 | ± 0.73 | kJ/mol | 45.01584 ± 0.00080 | 1495-50-7*0 | Methoxy radical | CH3O (g) | 29.19 | 21.81 | ± 0.37 | kJ/mol | 31.03392 ± 0.00088 | 2143-68-2*0 | Formyl | HCO (g) | 41.46 | 41.84 | ± 0.11 | kJ/mol | 29.01804 ± 0.00086 | 2597-44-6*0 | 2-Propynyl | CH2CCH (g) | 354.09 | 351.53 | ± 0.39 | kJ/mol | 39.0559 ± 0.0024 | 2932-78-7*0 | Propynylidene | HCCCH (g, triplet) | 543.08 | 546.08 | ± 0.67 | kJ/mol | 38.0480 ± 0.0024 | 67152-18-5*1 | Hypochlorite | [ClO]- (g) | -118.61 | -118.34 | ± 0.13 | kJ/mol | 51.45265 ± 0.00095 | 14380-61-1*0 | Oxygen atom anion | O- (g) | 105.868 | 108.097 | ± 0.0021 | kJ/mol | 15.99995 ± 0.00030 | 14337-01-0*0 | Cyanogen bromide | BrCN (g) | 187.57 | 180.78 | ± 0.78 | kJ/mol | 105.9214 ± 0.0013 | 506-68-3*0 | Allyl | CH2CHCH2 (g) | 179.71 | 167.98 | ± 0.55 | kJ/mol | 41.0718 ± 0.0024 | 1981-80-2*0 | 1-Hydroxyethyl | CH3CHOH (g, gauche-anti) | -42.07 | -55.50 | ± 0.62 | kJ/mol | 45.0605 ± 0.0017 | 2348-46-1*1 | 2-Hydroxyethyl | CH2CH2OH (g, gauche-syn) | -12.75 | -26.01 | ± 0.61 | kJ/mol | 45.0605 ± 0.0017 | 4422-54-2*1 | Cyanato | NCO (g) | 126.91 | 127.38 | ± 0.38 | kJ/mol | 42.01684 ± 0.00086 | 22400-26-6*0 | Ethyl chloride | CH3CH2Cl (g) | -96.67 | -111.26 | ± 0.22 | kJ/mol | 64.5138 ± 0.0019 | 75-00-3*0 | Oxygen difluoride | FOF (g) | 26.96 | 24.71 | ± 0.25 | kJ/mol | 53.99621 ± 0.00030 | 7783-41-7*0 | Hydride | H- (g) | 143.264 | 145.228 | ± 0.000 | kJ/mol | 1.008489 ± 0.000070 | 12184-88-2*0 | Nitrite | [ONO]- (g) | -182.66 | -185.46 | ± 0.46 | kJ/mol | 46.00609 ± 0.00060 | 14797-65-0*0 | Nitrosyl hydride | HNO (g) | 109.90 | 106.93 | ± 0.11 | kJ/mol | 31.01408 ± 0.00032 | 14332-28-6*0 | Ethynyl | C2H (g) | 563.91 | 568.02 | ± 0.15 | kJ/mol | 25.0293 ± 0.0016 | 2122-48-7*0 | Ethoxide | [CH3CH2O]- (g) | -163.56 | -178.50 | ± 0.53 | kJ/mol | 45.0610 ± 0.0017 | 16331-64-9*0 | Tetrafluoroethylene | C2F4 (g) | -671.58 | -675.00 | ± 0.61 | kJ/mol | 100.0150 ± 0.0016 | 116-14-3*0 | Phenylium | [C6H5]+ (g) | 1148.74 | 1136.84 | ± 0.95 | kJ/mol | 77.1034 ± 0.0048 | 17333-73-2*0 | Chloroxyl radical | ClO (g) | 101.116 | 101.707 | ± 0.035 | kJ/mol | 51.45210 ± 0.00095 | 14989-30-1*0 | Hypoiodous acid | HOI (g) | -56.6 | -61.3 | ± 2.0 | kJ/mol | 143.91181 ± 0.00031 | 14332-21-9*0 | Trihydrogen cation | [H3]+ (g) | 1110.304 | 1106.696 | ± 0.013 | kJ/mol | 3.02327 ± 0.00021 | 28132-48-1*0 | Nitrous oxide | NNO (g) | 86.003 | 82.574 | ± 0.097 | kJ/mol | 44.01288 ± 0.00033 | 10024-97-2*0 | Amidogen | NH2 (g) | 188.94 | 186.05 | ± 0.15 | kJ/mol | 16.02262 ± 0.00016 | 13770-40-6*0 | Hydroxylamine | NH2OH (g, trans) | -33.13 | -43.50 | ± 0.49 | kJ/mol | 33.02996 ± 0.00037 | 7803-49-8*1 | 1,2-Propadiene-1,3-diylidene | CCC (g) | 815.52 | 824.47 | ± 0.84 | kJ/mol | 36.0321 ± 0.0024 | 12075-35-3*0 | Oxirane | O(CH2CH2) (g) | -40.19 | -52.73 | ± 0.44 | kJ/mol | 44.0526 ± 0.0017 | 75-21-8*0 | Tetraiodomethane | CI4 (g) | 340.5 | 335.4 | ± 1.4 | kJ/mol | 519.62858 ± 0.00081 | 507-25-5*0 | Chlorotrifluoromethane | CF3Cl (g) | -705.09 | -710.20 | ± 0.72 | kJ/mol | 104.4586 ± 0.0012 | 75-72-9*0 | Bromotrifluoromethane | CF3Br (g) | -639.51 | -651.63 | ± 0.53 | kJ/mol | 148.9099 ± 0.0013 | 75-63-8*0 | Fluoromethylidyne | CF (g) | 243.15 | 246.75 | ± 0.14 | kJ/mol | 31.00910 ± 0.00080 | 3889-75-6*0 | Methylenimine | H2CNH (g) | 96.61 | 88.70 | ± 0.98 | kJ/mol | 29.04126 ± 0.00083 | 2053-29-4*0 | Fluoroxyl radical | FO (g) | 110.31 | 110.93 | ± 0.15 | kJ/mol | 34.99780 ± 0.00030 | 12061-70-0*0 | Methylamine | CH3NH2 (g) | -5.82 | -20.91 | ± 0.53 | kJ/mol | 31.05714 ± 0.00088 | 74-89-5*0 | Ethylium | [CH3CH2]+ (g) | 915.06 | 902.82 | ± 0.36 | kJ/mol | 29.0606 ± 0.0016 | 14936-94-8*0 | Ethoxy | CH3CH2O (g, X 2A") | 1.67 | -12.24 | ± 0.52 | kJ/mol | 45.0605 ± 0.0017 | 2154-50-9*51 | Isocyanic acid | HNCO (g) | -116.04 | -119.03 | ± 0.37 | kJ/mol | 43.02478 ± 0.00086 | 75-13-8*0 | Chloroform | CCl3H (g) | -98.58 | -103.48 | ± 0.65 | kJ/mol | 119.3767 ± 0.0028 | 67-66-3*0 | Methylene chloride | CH2Cl2 (g) | -87.82 | -94.68 | ± 0.60 | kJ/mol | 84.9320 ± 0.0020 | 75-09-2*0 | Vinyl chloride | CH2CHCl (g) | 29.56 | 22.09 | ± 0.35 | kJ/mol | 62.4979 ± 0.0018 | 75-01-4*0 | Acetone | CH3C(O)CH3 (g) | -199.41 | -216.10 | ± 0.37 | kJ/mol | 58.0791 ± 0.0025 | 67-64-1*0 | Hydrogen fluoride | HF (aq) | | -334.53 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*800 | Hypobromite | [BrO]- (g) | -96.22 | -103.70 | ± 0.55 | kJ/mol | 95.9039 ± 0.0010 | 14380-62-2*0 | Diazenylium | [N2H]+ (g) | 1042.77 | 1039.16 | ± 0.73 | kJ/mol | 29.02087 ± 0.00016 | 12357-66-3*0 | n-Butane | CH3CH2CH2CH3 (g) | -98.51 | -125.82 | ± 0.34 | kJ/mol | 58.1222 ± 0.0033 | 106-97-8*0 | Propadienylidene | CH2CC (g) | 554.50 | 555.64 | ± 0.43 | kJ/mol | 38.0480 ± 0.0024 | 60731-10-4*0 | Acetyl | CH3CO (g) | -3.20 | -9.86 | ± 0.38 | kJ/mol | 43.0446 ± 0.0016 | 3170-69-2*0 | Methyl hydroperoxide | CH3OOH (g) | -114.97 | -127.79 | ± 0.91 | kJ/mol | 48.0413 ± 0.0010 | 3031-73-0*0 | Hydroxyformyl | HOCO (g, trans) | -180.95 | -183.91 | ± 0.48 | kJ/mol | 45.0174 ± 0.0010 | 2564-86-5*1 | Ethyl bromide | CH3CH2Br (g) | -41.19 | -63.14 | ± 0.27 | kJ/mol | 108.9651 ± 0.0019 | 74-96-4*0 | Vinyl fluoride | CH2CHF (g) | -134.4 | -142.3 | ± 1.1 | kJ/mol | 46.0436 ± 0.0016 | 75-02-5*0 | Vinyl bromide | CH2CHBr (g) | 88.51 | 73.71 | ± 0.61 | kJ/mol | 106.9492 ± 0.0019 | 593-60-2*0 | 2-Bromoethanol | BrCH2CH2OH (g) | -196.67 | -220.74 | ± 0.54 | kJ/mol | 124.9645 ± 0.0019 | 540-51-2*0 | Fluorobenzene | C6H5F (g) | -99.6 | -115.3 | ± 1.1 | kJ/mol | 96.1023 ± 0.0048 | 462-06-6*0 | (E)-Diazene | HNNH (g, trans) | 207.36 | 200.22 | ± 0.56 | kJ/mol | 30.02936 ± 0.00020 | 15626-43-4*0 | Hydroxyoxomethylium | [HOCO]+ (g) | 600.80 | 597.72 | ± 0.45 | kJ/mol | 45.0169 ± 0.0010 | 638-71-1*0 | Ethynylene | C2 (g) | 820.26 | 828.33 | ± 0.30 | kJ/mol | 24.0214 ± 0.0016 | 12070-15-4*0 | Vinylium | [C2H3]+ (g) | 1118.89 | 1115.87 | ± 0.60 | kJ/mol | 27.0447 ± 0.0016 | 14604-48-9*0 | Hydroxymethylium | [CH2OH]+ (g) | 717.93 | 709.99 | ± 0.21 | 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) | 222.6 | 222.1 | ± 1.0 | kJ/mol | 152.92191 ± 0.00080 | 506-78-5*0 | Ethynide | [C2H]- (g) | 277.57 | 281.06 | ± 0.40 | kJ/mol | 25.0299 ± 0.0016 | 29075-95-4*0 | Dioxidanide | [HO2]- (g) | -88.88 | -91.55 | ± 0.39 | kJ/mol | 33.00729 ± 0.00060 | 14691-59-9*0 | Phosgene | COCl2 (g) | -217.32 | -219.02 | ± 0.28 | kJ/mol | 98.9155 ± 0.0020 | 75-44-5*0 | 2-Chloroethanol | ClCH2CH2OH (g) | -250.06 | -266.78 | ± 0.61 | kJ/mol | 80.5132 ± 0.0019 | 107-07-3*0 | Hypofluorite | [FO]- (g) | -108.94 | -108.76 | ± 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 | Methanium | [CH5]+ (g) | 921.75 | 911.09 | ± 0.46 | kJ/mol | 17.04985 ± 0.00087 | 15135-49-6*0 | Hydroxyamidogen | HNOH (g, trans) | 101.5 | 94.7 | ± 1.0 | kJ/mol | 32.02202 ± 0.00034 | 13940-32-4*1 | Nitrate | [NO3]- (g) | -300.14 | -306.60 | ± 0.61 | kJ/mol | 62.00549 ± 0.00090 | 14797-55-8*0 | Dioxygenyl fluoride | FOO (g) | 26.79 | 25.08 | ± 0.26 | kJ/mol | 50.99720 ± 0.00060 | 15499-23-7*0 | Propyl | CH3CH2CH2 (g) | 118.28 | 101.17 | ± 0.63 | kJ/mol | 43.0877 ± 0.0024 | 2143-61-5*0 | iso-Propyl | CH3CHCH3 (g) | 105.75 | 89.15 | ± 0.70 | kJ/mol | 43.0877 ± 0.0024 | 2025-55-0*0 | 2-Propynylidyne | CCCH (g) | 718.12 | 722.47 | ± 0.83 | kJ/mol | 37.0400 ± 0.0024 | 53590-28-6*0 | Bromoform | CBr3H (g) | 73.7 | 47.5 | ± 1.3 | kJ/mol | 252.7306 ± 0.0031 | 75-25-2*0 | 2-Fluoroethanol | FCH2CH2OH (g) | -406.9 | -424.1 | ± 1.1 | kJ/mol | 64.0589 ± 0.0017 | 371-62-0*0 | Phenide | [C6H5]- (g) | 244.88 | 231.97 | ± 0.44 | kJ/mol | 77.1044 ± 0.0048 | 30922-78-2*0 | Bromobenzene | C6H5Br (g) | 127.0 | 104.9 | ± 1.3 | kJ/mol | 157.0079 ± 0.0049 | 108-86-1*0 | Bromoxyl radical | BrO (g) | 131.16 | 123.62 | ± 0.30 | kJ/mol | 95.9034 ± 0.0010 | 15656-19-6*0 | Iodine monochloride | ICl (g) | 19.024 | 17.391 | ± 0.013 | kJ/mol | 162.35717 ± 0.00090 | 7790-99-0*0 | Iodotrifluoromethane | CF3I (g) | -584.05 | -589.93 | ± 0.56 | kJ/mol | 195.91038 ± 0.00080 | 2314-97-8*0 | Nitroxyl | H2NO (g) | 71.33 | 64.73 | ± 0.85 | kJ/mol | 32.02202 ± 0.00034 | 13408-29-2*0 | Peroxynitrous acid | HOONO (g, cis, cis) | -6.14 | -14.58 | ± 0.37 | kJ/mol | 63.01288 ± 0.00091 | 14691-52-2*3 | Acetylium | [CH3CO]+ (g) | 666.91 | 659.74 | ± 0.68 | kJ/mol | 43.0441 ± 0.0016 | 15762-07-9*0 | Hydroxymethylene | HCOH (g, trans) | 111.98 | 108.21 | ± 0.41 | kJ/mol | 30.02598 ± 0.00087 | 19710-56-6*1 | Formyl anion | [HCO]- (g) | 11.62 | 12.05 | ± 0.44 | kJ/mol | 29.01859 ± 0.00086 | 57340-31-5*0 | 1-Hydroxyethylium | [CH3CHOH]+ (g, anti) | 609.20 | 594.78 | ± 0.40 | kJ/mol | 45.0600 ± 0.0017 | 18682-96-7*1 | Ethoxy | CH3CH2O (g, A 2A') | 5.92 | -8.52 | ± 0.52 | kJ/mol | 45.0605 ± 0.0017 | 2154-50-9*52 | Methylperoxy | CH3OO (g) | 21.85 | 12.10 | ± 0.89 | kJ/mol | 47.0333 ± 0.0010 | 2143-58-0*0 | Formic acid | HC(O)OH (g, anti) | -354.86 | -362.11 | ± 0.40 | kJ/mol | 46.0254 ± 0.0010 | 64-18-6*2 | Formyloxy | HC(O)O (g, 2A1 only) | -124.68 | -126.34 | ± 0.53 | kJ/mol | 45.0174 ± 0.0010 | 16499-21-1*1 | Formate | [HC(O)O]- (g) | -462.02 | -465.67 | ± 0.53 | kJ/mol | 45.0180 ± 0.0010 | 71-47-6*0 | Chlorodifluoromethane | CHClF2 (g) | -476.7 | -482.8 | ± 1.2 | kJ/mol | 86.4681 ± 0.0012 | 75-45-6*0 | Fluoromethylene | CHF (g, singlet) | 148.34 | 148.62 | ± 0.46 | kJ/mol | 32.01704 ± 0.00080 | 13453-52-6*2 | Ethyl fluoride | CH3CH2F (g) | -257.45 | -272.31 | ± 0.95 | kJ/mol | 48.0595 ± 0.0016 | 353-36-6*0 | Chlorobenzene | C6H5Cl (g) | 67.18 | 52.23 | ± 0.61 | kJ/mol | 112.5566 ± 0.0049 | 108-90-7*0 | Hydrogen bromide | HBr (aq) | | -120.95 | ± 0.15 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*800 | Hydrogen chloride | HCl (aq) | | -166.993 | ± 0.023 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*800 | Oxygen atom cation | O+ (g) | 1560.786 | 1562.644 | ± 0.0021 | kJ/mol | 15.99885 ± 0.00030 | 14581-93-2*0 | Amide | [NH2]- (g) | 114.95 | 112.08 | ± 0.34 | kJ/mol | 16.02317 ± 0.00016 | 17655-31-1*0 | Hydrazine | H2NNH2 (g) | 109.71 | 95.55 | ± 0.19 | kJ/mol | 32.04524 ± 0.00031 | 302-01-2*0 | Methylidyne | CH (g, quartet) | 664.45 | 667.79 | ± 0.63 | kJ/mol | 13.01864 ± 0.00080 | 3315-37-5*2 | Ethylidyne | CH3C (g) | 510.3 | 506.3 | ± 1.1 | kJ/mol | 27.0452 ± 0.0016 | 67624-57-1*0 | Trioxidane | HOOOH (g, trans) | -81.40 | -90.24 | ± 0.78 | kJ/mol | 50.01408 ± 0.00091 | 14699-99-1*1 | 1-Methylethenyl | CH3CCH2 (g) | 263.15 | 252.81 | ± 0.72 | kJ/mol | 41.0718 ± 0.0024 | 15552-77-9*0 | 1-Hydroxyethyl | CH3CHOH (g, gauche-syn) | -40.51 | -53.98 | ± 0.87 | kJ/mol | 45.0605 ± 0.0017 | 2348-46-1*2 | Protonated oxirane | [(CH2CH2)OH]+ (g) | 725.18 | 709.01 | ± 0.64 | kJ/mol | 45.0600 ± 0.0017 | *38607-31-7*0 | Oxoethenyl | HCCO (g) | 176.88 | 177.99 | ± 0.60 | kJ/mol | 41.0287 ± 0.0016 | 51095-15-9*0 | Methanediol | CH2(OH)2 (g, conrot gauche) | -379.15 | -393.35 | ± 0.96 | 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 | Fluoronium | [HFH]+ (g) | 774.25 | 771.31 | ± 0.90 | kJ/mol | 21.01373 ± 0.00014 | 12206-67-6*0 | Trioxidanide | [HOOO]- (g, gauche) | -121.0 | -124.0 | ± 1.4 | kJ/mol | 49.00669 ± 0.00090 | 89965-38-8*2 | Methylene bromide | CH2Br2 (g) | 24.6 | 3.2 | ± 1.2 | kJ/mol | 173.8346 ± 0.0022 | 74-95-3*0 | Difluorodichloromethane | CF2Cl2 (g) | -491.00 | -495.77 | ± 0.98 | kJ/mol | 120.9129 ± 0.0020 | 75-71-8*0 | Fluorodichloromethane | CHFCl2 (g) | -279.1 | -284.4 | ± 1.2 | kJ/mol | 102.9224 ± 0.0020 | 75-43-4*0 | Iodoxyl radical | IO (g) | 127.0 | 125.0 | ± 1.1 | kJ/mol | 142.90387 ± 0.00030 | 14696-98-1*0 | Nitrogen sesquioxide | ONNO2 (g) | 90.66 | 86.09 | ± 0.15 | kJ/mol | 76.01168 ± 0.00091 | 10544-73-7*0 | Ammonium | [NH4]+ (g) | 643.02 | 631.71 | ± 0.21 | kJ/mol | 18.03795 ± 0.00029 | 14798-03-9*0 | Ammonium | [NH4]+ (aq) | | -133.083 | ± 0.056 | kJ/mol | 18.03795 ± 0.00029 | 14798-03-9*800 | Hydrazyl | N2H3 (g) | 235.52 | 224.87 | ± 0.93 | kJ/mol | 31.03730 ± 0.00025 | 13598-46-4*0 | Hydrazoic acid | HNNN (g) | 298.13 | 291.83 | ± 0.58 | kJ/mol | 43.02816 ± 0.00022 | 7782-79-8*0 | Dioxygen cation | [O2]+ (g) | 1164.585 | 1165.221 | ± 0.0092 | kJ/mol | 31.99825 ± 0.00060 | 12185-07-8*0 | Hydrogen peroxide cation | [H2O2]+ (g, trans) | 896.85 | 889.87 | ± 0.57 | kJ/mol | 34.01413 ± 0.00062 | 12325-10-9*1 | Ethylidene | CH3CH (g, triplet) | 361.5 | 354.5 | ± 1.2 | kJ/mol | 28.0532 ± 0.0016 | 4218-50-2*1 | Chloronium | [HClH]+ (g) | 881.2 | 878.1 | ± 1.2 | kJ/mol | 37.46803 ± 0.00091 | 36658-55-6*0 | Hydrogen isocyanide cation | [HNC]+ (g) | 1352.9 | 1352.9 | ± 1.4 | kJ/mol | 27.02483 ± 0.00081 | 74158-11-5*0 | Dioxygen difluoride | FOOF (g) | 37.36 | 33.64 | ± 0.38 | kJ/mol | 69.99561 ± 0.00060 | 7783-44-0*0 | 2-Hydroxyethyl | CH2CH2OH (g, gauche-anti) | -9.91 | -22.54 | ± 0.86 | kJ/mol | 45.0605 ± 0.0017 | 4422-54-2*2 | Methanediol | CH2(OH)2 (g, disrot gauche) | -368.6 | -381.8 | ± 1.0 | kJ/mol | 48.0413 ± 0.0010 | 463-57-0*2 | Hydroperoxonium | [H2OOH]+ (g, trans) | 738.1 | 727.8 | ± 1.0 | kJ/mol | 35.02207 ± 0.00064 | 70850-26-9*1 | Trifluoromethylium | [CF3]+ (g) | 408.93 | 405.86 | ± 0.54 | kJ/mol | 69.00536 ± 0.00080 | 18851-76-8*0 | Fluoroformyl | FCO (g) | -176.92 | -176.34 | ± 0.51 | kJ/mol | 47.00850 ± 0.00085 | 1871-24-5*0 | Bromonium | [HBrH]+ (g) | 924.8 | 914.1 | ± 1.6 | kJ/mol | 81.9193 ± 0.0010 | 36658-54-5*0 | Oxonitrate anion | [NO]- (g) | 87.88 | 87.91 | ± 0.12 | kJ/mol | 30.00669 ± 0.00031 | 14967-78-3*0 | Chlorine fluoride | ClF (g) | -55.589 | -55.684 | ± 0.060 | kJ/mol | 54.45110 ± 0.00090 | 7790-89-8*0 | Nitric acid | HNO3 (aq) | | -206.60 | ± 0.19 | kJ/mol | 63.01288 ± 0.00091 | 7697-37-2*800 | Oxoammoniumyl | [HNO]+ (g) | 1092.49 | 1089.56 | ± 0.70 | kJ/mol | 31.01353 ± 0.00032 | 63559-87-5*0 | Nitrous acid | HONO (g, trans) | -73.048 | -79.191 | ± 0.078 | kJ/mol | 47.01348 ± 0.00061 | 7782-77-6*1 | Peroxynitrous acid | HOONO (g, trans, perp) | 7.56 | 0.48 | ± 0.42 | kJ/mol | 63.01288 ± 0.00091 | 14691-52-2*1 | Ethylidene | CH3CH (g, singlet) | 374.6 | 366.9 | ± 1.2 | kJ/mol | 28.0532 ± 0.0016 | 4218-50-2*2 | Iminomethyl cation | [HCNH]+ (g) | 953.4 | 949.3 | ± 1.6 | kJ/mol | 28.03277 ± 0.00082 | 196216-36-1*0 | Cyclopropane | CH2(CH2CH2) (g) | 70.77 | 53.62 | ± 0.49 | kJ/mol | 42.0797 ± 0.0024 | 75-19-4*0 | 1-Propenyl | CH3CHCH (g, cis) | 278.13 | 267.34 | ± 0.80 | kJ/mol | 41.0718 ± 0.0024 | 6067-68-1*2 | 1-Propynyl | CH3CC (g) | 528.99 | 526.63 | ± 0.81 | kJ/mol | 39.0559 ± 0.0024 | 89342-91-6*0 | Trioxidane | HOOOH (g, cis) | -72.01 | -80.50 | ± 0.83 | kJ/mol | 50.01408 ± 0.00091 | 14699-99-1*2 | Propargylenide | [HCCCH]- (g, transoid 2B) | 436.54 | 439.06 | ± 0.98 | kJ/mol | 38.0485 ± 0.0024 | 82906-05-6*1 | 2-Propyn-1-ylium-1-ylidene | [CCCH]+ (g) | 1598.4 | 1603.3 | ± 1.3 | kJ/mol | 37.0395 ± 0.0024 | 75104-46-0*0 | 2-Hydroxyethyl | CH2CH2OH (g, staggered-anti) | -4.9 | -17.3 | ± 1.2 | kJ/mol | 45.0605 ± 0.0017 | 4422-54-2*3 | Vinoxy | CH2CHO (g) | 22.48 | 15.64 | ± 0.77 | kJ/mol | 43.0446 ± 0.0016 | 6912-06-7*0 | Acetyl anion | [CH3CO]- (g) | -43.8 | -49.3 | ± 1.3 | kJ/mol | 43.0452 ± 0.0016 | 78944-68-0*0 | Ketene | CH2CO (g, triplet) | 182.6 | 179.6 | ± 1.3 | kJ/mol | 42.0367 ± 0.0016 | 463-51-4*1 | Dicarbon monoxide | CCO (g, triplet) | 375.0 | 379.0 | ± 1.2 | kJ/mol | 40.0208 ± 0.0016 | 12071-23-7*1 | Dimethyl ether | CH3OCH3 (g) | -166.52 | -184.02 | ± 0.44 | kJ/mol | 46.0684 ± 0.0017 | 115-10-6*0 | Formic acid | HC(O)OH (g, syn-anti equilib) | -371.20 | -378.50 | ± 0.24 | kJ/mol | 46.0254 ± 0.0010 | 64-18-6*0 | Hydroxyformyl | HOCO (g, cis) | -174.03 | -177.05 | ± 0.51 | kJ/mol | 45.0174 ± 0.0010 | 2564-86-5*2 | Hydroxyformyl anion | [HOCO]- (g, cis) | -319.35 | -322.12 | ± 0.58 | kJ/mol | 45.0180 ± 0.0010 | 78944-70-4*2 | Fluorotrichloromethane | CCl3F (g) | -287.4 | -290.6 | ± 1.2 | kJ/mol | 137.3672 ± 0.0028 | 75-69-4*0 | Bromotrichloromethane | CCl3Br (g) | -33.88 | -43.03 | ± 0.73 | kJ/mol | 198.2728 ± 0.0030 | 75-62-7*0 | Difluoromethylene | CF2 (g) | -193.87 | -193.39 | ± 0.42 | kJ/mol | 50.00751 ± 0.00080 | 2154-59-8*0 | 2-Hydrotrioxy | OO(H)O (g) | 300.9 | 295.2 | ± 1.1 | kJ/mol | 49.00614 ± 0.00090 | *12500-78-6*0 | Fluoromethylene | CHF (g, triplet) | 210.18 | 210.52 | ± 0.68 | kJ/mol | 32.01704 ± 0.00080 | 13453-52-6*1 | Hydrogen fluoride | HF (aq, 20 H2O) | | -321.07 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*818 | 1,1-Difluoroethene | CH2CF2 (g) | -343.69 | -350.75 | ± 0.86 | 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 | Dichloride | [Cl2]- (g) | -230.7 | -229.7 | ± 1.8 | kJ/mol | 70.9059 ± 0.0018 | 12595-89-0*0 | Iodobenzene | C6H5I (g) | 177.8 | 161.9 | ± 1.1 | kJ/mol | 204.0084 ± 0.0048 | 591-50-4*0 | Iodine monobromide | IBr (g) | 49.715 | 40.768 | ± 0.067 | kJ/mol | 206.8085 ± 0.0010 | 7789-33-5*0 | Trioxidanyl | HOOO (g, trans) | 25.32 | 23.33 | ± 0.13 | kJ/mol | 49.00614 ± 0.00090 | 12500-78-6*1 | Isodiazene | H2NN (g) | 308.00 | 300.94 | ± 0.81 | kJ/mol | 30.02936 ± 0.00020 | 28647-38-3*0 | Methide | [CH3]- (g) | 145.50 | 142.06 | ± 0.95 | kJ/mol | 15.03507 ± 0.00083 | 15194-58-8*0 | Methyliumyl | [CH2]+ (g) | 1393.10 | 1393.96 | ± 0.14 | kJ/mol | 14.02603 ± 0.00081 | 15091-72-2*0 | Difluoride | [F2]- (g) | -291.0 | -290.2 | ± 1.5 | kJ/mol | 37.9973550 ± 0.0000010 | 12184-85-9*0 | Oxoniumylidene | [OH]+ (g) | 1293.193 | 1293.222 | ± 0.035 | kJ/mol | 17.00679 ± 0.00031 | 12259-29-9*0 | Ozonide ion | [OOO]- (g) | -58.48 | -60.83 | ± 0.21 | kJ/mol | 47.99875 ± 0.00090 | 12596-80-4*0 | (E)-Iminomethyl | HCNH (g, trans) | 276.2 | 272.6 | ± 1.4 | kJ/mol | 28.03332 ± 0.00082 | 54980-10-8*0 | Fluoroacetylene | HCCF (g) | 104.35 | 105.06 | ± 0.85 | kJ/mol | 44.0277 ± 0.0016 | 2713-09-9*0 | Chloroacetylene | HCCCl (g) | 228.1 | 229.0 | ± 1.1 | kJ/mol | 60.4820 ± 0.0018 | 593-63-5*0 | 1,2-Propadienyl anion | [CH2CCH]- (g) | 265.88 | 262.68 | ± 0.72 | kJ/mol | 39.0565 ± 0.0024 | 64066-06-4*0 | 1-Propynyl anion | [CH3CC]- (g) | 265.04 | 261.57 | ± 0.81 | kJ/mol | 39.0565 ± 0.0024 | 36147-87-2*0 | Propargylenide | [HCCCH]- (g, cisoid 2A) | 439.08 | 441.59 | ± 0.86 | kJ/mol | 38.0485 ± 0.0024 | 82906-05-6*2 | 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) | -112.59 | -123.90 | ± 0.87 | kJ/mol | 44.0526 ± 0.0017 | 557-75-5*1 | Bromine monochloride | BrCl (g) | 21.878 | 14.434 | ± 0.060 | kJ/mol | 115.3567 ± 0.0013 | 13863-41-7*0 | Dicarbon monoxide | CCO (g, singlet) | 453.6 | 457.9 | ± 1.3 | kJ/mol | 40.0208 ± 0.0016 | 12071-23-7*2 | Hydroxyformyl anion | [HOCO]- (g, trans) | -313.52 | -315.46 | ± 0.59 | kJ/mol | 45.0180 ± 0.0010 | 78944-70-4*1 | Acetic acid | CH3C(O)OH (g, syn) | -418.72 | -432.84 | ± 0.62 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*1 | Ethylene glycol | (CH2OH)2 (g) | -369.79 | -389.42 | ± 0.49 | kJ/mol | 62.0678 ± 0.0018 | 107-21-1*0 | Cyanoamidogen | HNCN (g) | 324.6 | 322.1 | ± 1.6 | kJ/mol | 41.03212 ± 0.00082 | 12347-01-2*0 | Fluorochloromethane | CH2FCl (g) | -256.6 | -263.7 | ± 1.3 | kJ/mol | 68.4777 ± 0.0012 | 593-70-4*0 | Formyl fluoride | HFCO (g) | -378.98 | -382.56 | ± 0.48 | kJ/mol | 48.01644 ± 0.00086 | 1493-02-3*0 | 1,3-Butadiyne | HCCCCH (g) | 458.63 | 460.35 | ± 0.87 | kJ/mol | 50.0587 ± 0.0032 | 460-12-8*0 | Fluorobenzene cation | [C6H5F]+ (g) | 788.3 | 773.6 | ± 1.1 | kJ/mol | 96.1018 ± 0.0048 | 34468-25-2*0 | Nitrosyl nitrite | ONONO (g, sym) | 91.2 | 86.1 | ± 1.6 | kJ/mol | 76.01168 ± 0.00091 | 122413-35-8*1 | Dinitrogen pentoxide | O2NONO2 (g) | 24.33 | 14.76 | ± 0.35 | kJ/mol | 108.0105 ± 0.0015 | 10102-03-1*0 | Bromide | Br- (aq) | | -120.95 | ± 0.15 | kJ/mol | 79.9045 ± 0.0010 | 24959-67-9*800 | Carbon atom cation | C+ (g) | 1797.848 | 1803.446 | ± 0.055 | kJ/mol | 12.01015 ± 0.00080 | 14067-05-1*0 | Oxoniumyl ion | [H2O]+ (g) | 978.475 | 975.572 | ± 0.029 | kJ/mol | 18.01473 ± 0.00033 | 56583-62-1*0 | Fluoride | F- (aq) | | -334.53 | ± 0.17 | kJ/mol | 18.99895178 ± 0.00000050 | 16984-48-8*800 | Vinyl anion | [C2H3]- (g) | 237.39 | 232.99 | ± 0.84 | kJ/mol | 27.0458 ± 0.0016 | 25012-81-1*0 | Acetylene cation | [HCCH]+ (g) | 1328.62 | 1327.69 | ± 0.20 | kJ/mol | 26.0367 ± 0.0016 | 25641-79-6*0 | Vinylidene | CCH2 (g) | 411.33 | 412.24 | ± 0.62 | kJ/mol | 26.0373 ± 0.0016 | 2143-69-3*0 | Vinylidene anion | [CCH2]- (g) | 364.30 | 364.11 | ± 0.81 | kJ/mol | 26.0378 ± 0.0016 | 66295-36-1*0 | Ethynylium | [C2H]+ (g) | 1687.63 | 1690.96 | ± 0.17 | kJ/mol | 25.0288 ± 0.0016 | 16456-59-0*0 | Methylamidogen anion | [CH3NH]- (g) | 146.14 | 134.79 | ± 0.79 | kJ/mol | 30.04975 ± 0.00085 | 54448-39-4*0 | Methyleneamidogen | H2CN (g) | 242.23 | 238.57 | ± 0.95 | kJ/mol | 28.03332 ± 0.00082 | 15845-29-1*0 | (Z)-Iminomethyl | HCNH (g, cis) | 294.6 | 291.1 | ± 1.4 | kJ/mol | 28.03332 ± 0.00082 | 54980-11-9*0 | Water anion | [(H)(OH)]- (g, vdW) | 30.5 | 29.0 | ± 2.5 | kJ/mol | 18.01583 ± 0.00033 | 12259-30-2*100 | Methyloxoniumylidene | [CH3O]+ (g) | 1062.57 | 1054.94 | ± 0.71 | kJ/mol | 31.03337 ± 0.00088 | 58157-09-8*0 | Hydroxymethylene | HCOH (g, cis) | 130.42 | 126.68 | ± 0.42 | kJ/mol | 30.02598 ± 0.00087 | 19710-56-6*2 | Hydroxymethylene cation | [HCOH]+ (g, trans) | 972.2 | 968.6 | ± 1.6 | kJ/mol | 30.02543 ± 0.00087 | 135395-06-1*1 | Dioxidenium | [HO2]+ (g) | 1110.87 | 1107.98 | ± 0.11 | kJ/mol | 33.00619 ± 0.00060 | 12207-52-2*0 | 1-Propenyl | CH3CHCH (g, trans) | 280.18 | 269.36 | ± 0.81 | kJ/mol | 41.0718 ± 0.0024 | 6067-68-1*1 | Cyclopropene | CH2(CHCH) (g) | 292.59 | 283.86 | ± 0.55 | kJ/mol | 40.0639 ± 0.0024 | 2781-85-3*0 | 1-Hydroxyethylium | [CH3CHOH]+ (g, syn) | 611.2 | 596.7 | ± 1.2 | kJ/mol | 45.0600 ± 0.0017 | 18682-96-7*2 | Vinyl alcohol | CH2CHOH (g, anti) | -108.14 | -118.67 | ± 0.90 | kJ/mol | 44.0526 ± 0.0017 | 557-75-5*2 | Vinyl alcohol cation | [CH2CHOH]+ (g, anti) | 779.1 | 767.9 | ± 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) | 901.5 | 893.5 | ± 1.4 | kJ/mol | 43.0441 ± 0.0016 | 57789-76-1*2 | C=O=C | COC (g, triplet) | 652.7 | 657.0 | ± 2.3 | kJ/mol | 40.0208 ± 0.0016 | *12071-23-7*1 | C=O=C | COC (g, singlet) | 720.9 | 725.2 | ± 1.7 | kJ/mol | 40.0208 ± 0.0016 | *12071-23-7*2 | Oxirene | O(CHCH) (g, t-triplet) | 390.0 | 385.7 | ± 2.8 | kJ/mol | 42.0367 ± 0.0016 | 157-18-6*11 | Ethynol | HCCOH (g) | 94.8 | 92.7 | ± 1.4 | kJ/mol | 42.0367 ± 0.0016 | 32038-79-2*0 | Formic acid cation | [HC(O)OH]+ (g, syn) | 721.78 | 714.62 | ± 0.28 | kJ/mol | 46.0248 ± 0.0010 | 50614-05-6*1 | Dioxirane | H2C(OO) (g) | 9.26 | 1.58 | ± 0.92 | kJ/mol | 46.0254 ± 0.0010 | 157-26-6*0 | Formyloxy | HC(O)O (g, 2B2 only) | -120.86 | -124.20 | ± 0.54 | kJ/mol | 45.0174 ± 0.0010 | 16499-21-1*2 | Isofulminic acid | HCNO (g) | 170.8 | 169.3 | ± 1.2 | kJ/mol | 43.02478 ± 0.00086 | 51060-05-0*0 | Methyl formate | HC(O)OCH3 (g, syn-staggered) | -344.74 | -357.79 | ± 0.58 | kJ/mol | 60.0520 ± 0.0017 | 107-31-3*1 | Diazomethyl | HCNN (g) | 472.5 | 470.0 | ± 1.8 | kJ/mol | 41.03212 ± 0.00082 | 20813-32-5*0 | Isocyanoamidogen | HNNC (g) | 492.4 | 490.4 | ± 1.8 | kJ/mol | 41.03212 ± 0.00082 | 947408-73-3*0 | Trioxidanylium | [HOOO]+ (g, trans) | 1070.2 | 1063.9 | ± 1.3 | kJ/mol | 49.00559 ± 0.00090 | 74241-49-9*1 | Methyl iodide | CH3I (l) | | -12.22 | ± 0.19 | kJ/mol | 141.93899 ± 0.00083 | 74-88-4*590 | Hydrogen difluoride cation | [FFH]+ (g) | 1175.5 | 1172.6 | ± 2.0 | kJ/mol | 39.004198 ± 0.000070 | *126950-54-7*0 | Difluoromethylene | CF2 (g, triplet) | 43.32 | 44.04 | ± 0.42 | kJ/mol | 50.00751 ± 0.00080 | 2154-59-8*1 | Difluoromethylene | CF2 (g, singlet) | -193.87 | -193.39 | ± 0.42 | kJ/mol | 50.00751 ± 0.00080 | 2154-59-8*2 | Ethyl iodide | CH3CH2I (l) | -9.44 | -39.31 | ± 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) | -98.05 | -113.98 | ± 0.37 | kJ/mol | 187.8181 ± 0.0022 | 593-95-3*0 | Iodide | I- (aq) | | -56.826 | ± 0.090 | kJ/mol | 126.905019 ± 0.000030 | 20461-54-5*800 | Nitrosyl ion | [NO]+ (g) | 984.454 | 984.449 | ± 0.064 | kJ/mol | 30.00559 ± 0.00031 | 14452-93-8*0 | Benzene | C6H6 (cr,l) | 50.80 | 49.26 | ± 0.25 | kJ/mol | 78.1118 ± 0.0048 | 71-43-2*500 | Bromonium | Br+ (g) | 1257.774 | 1251.712 | ± 0.056 | kJ/mol | 79.9035 ± 0.0010 | 22541-56-6*0 | (E)-Diazene cation | [HNNH]+ (g, trans) | 1132.60 | 1125.69 | ± 0.74 | 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) | 229.61 | 222.47 | ± 0.83 | kJ/mol | 30.02936 ± 0.00020 | 15626-42-3*0 | Diazenyl | N2H (g) | 252.40 | 249.49 | ± 0.55 | kJ/mol | 29.02142 ± 0.00016 | 36882-13-0*0 | Hydroxyaminiumyl | [NOH]+ (g) | 1160.2 | 1157.2 | ± 1.5 | 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 | 2-Hydrotrioxy anion | [OO(H)O]- (g) | 27.6 | 21.9 | ± 1.2 | kJ/mol | 49.00669 ± 0.00090 | *89965-38-8*0 | Peroxynitrous acid | HOONO (g, cis, perp) | -0.58 | -7.63 | ± 0.53 | kJ/mol | 63.01288 ± 0.00091 | 14691-52-2*2 | Dioxiranylidene | C(OO) (g) | 189.0 | 189.8 | ± 1.8 | kJ/mol | 44.0095 ± 0.0010 | 138832-57-2*0 | Fluorosyl ion | [FO]+ (g) | 1342.41 | 1342.36 | ± 0.83 | kJ/mol | 34.99725 ± 0.00030 | 12763-67-6*0 | Hydroxyde | [OH]- (aq) | | -230.010 | ± 0.029 | kJ/mol | 17.00789 ± 0.00031 | 14280-30-9*800 | Methylene anion | [CH2]- (g) | 328.59 | 329.02 | ± 0.51 | kJ/mol | 14.02713 ± 0.00081 | 50928-07-9*0 | Deuterium atom | D (g) | 219.804 | 221.717 | ± 0.000 | kJ/mol | 2.01410177800 ± 0.00000000040 | 16873-17-9*0 | Aminomethylium | [CH2NH2]+ (g) | 764.1 | 752.1 | ± 1.8 | kJ/mol | 30.04865 ± 0.00085 | 488821-23-4*0 | Aminomethylene | HCNH2 (g) | 246.6 | 238.9 | ± 1.7 | 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 | ± 1.2 | kJ/mol | 28.03387 ± 0.00082 | 28892-56-0*0 | Hypoiodite | [IO]- (g) | -102.5 | -104.4 | ± 1.2 | kJ/mol | 142.90442 ± 0.00030 | 15065-65-3*0 | Aminomethylidyne | CNH2 (g) | 372.3 | 368.8 | ± 1.5 | kJ/mol | 28.03332 ± 0.00082 | 84654-89-7*0 | Cyano cation | [CN]+ (g) | 1779.2 | 1782.7 | ± 1.5 | kJ/mol | 26.01689 ± 0.00080 | 12539-57-0*0 | Cyanide | [CN]- (g) | 63.966 | 67.252 | ± 0.098 | kJ/mol | 26.01799 ± 0.00080 | 57-12-5*0 | Methanol cation | [CH3OH]+ (g) | 856.96 | 846.28 | ± 0.34 | kJ/mol | 32.04131 ± 0.00090 | 12538-91-9*0 | Hydroxymethylene | HCOH (g, gauche triplet) | 219.1 | 216.0 | ± 1.4 | kJ/mol | 30.02598 ± 0.00087 | 19710-56-6*3 | Hydroxymethylene anion | [HCOH]- (g, trans) | 148.3 | 145.3 | ± 1.8 | kJ/mol | 30.02653 ± 0.00087 | 207914-87-2*1 | Isoformyl | COH (g) | 217.60 | 217.99 | ± 0.70 | kJ/mol | 29.01804 ± 0.00086 | 71080-92-7*0 | Hydroxymethyliumylidene | [COH]+ (g) | 986.03 | 987.67 | ± 0.83 | kJ/mol | 29.01749 ± 0.00086 | 60528-75-8*0 | Propylium | [CH3CH2CH2]+ (g) | 857.19 | 838.97 | ± 0.84 | kJ/mol | 43.0871 ± 0.0024 | 19252-52-9*0 | Water dimer | (H2O)2 (g) | -491.076 | -499.116 | ± 0.052 | kJ/mol | 36.03056 ± 0.00066 | 25655-83-8*0 | iso-Propylium | [CH3CHCH3]+ (g) | 823.28 | 806.02 | ± 0.30 | kJ/mol | 43.0871 ± 0.0024 | 19252-53-0*0 | Cycloprop-1-enyl | CH2(CHC) (g) | 528.17 | 523.59 | ± 0.78 | kJ/mol | 39.0559 ± 0.0024 | 19528-44-0*0 | Cycloprop-2-enyl | CH(CHCH) (g) | 491.09 | 486.47 | ± 0.77 | kJ/mol | 39.0559 ± 0.0024 | 28933-84-8*0 | Cyclopropenylidene | C(CHCH) (g) | 497.09 | 496.14 | ± 0.47 | kJ/mol | 38.0480 ± 0.0024 | 16165-40-5*0 | 2-Propynylidyne anion | [CCCH]- (g) | 540.13 | 544.98 | ± 0.86 | kJ/mol | 37.0406 ± 0.0024 | 82893-67-2*0 | Cyclopropynyl | CH(CC) (g) | 710.8 | 714.9 | ± 1.1 | kJ/mol | 37.0400 ± 0.0024 | 119178-99-3*0 | n-Butyl | CH3CH2CH2CH2 (g) | 101.5 | 78.3 | ± 1.0 | kJ/mol | 57.1143 ± 0.0033 | 2492-36-6*0 | Vinyl alcohol cation | [CH2CHOH]+ (g, syn) | 787.3 | 776.1 | ± 1.1 | kJ/mol | 44.0520 ± 0.0017 | 57239-63-1*1 | Vinoxy cation | [CH2CHO]+ (g, triplet) | 1020.1 | 1013.1 | ± 1.6 | kJ/mol | 43.0441 ± 0.0016 | *35731-40-9*1 | Vinoxide | [CH2CHO]- (g) | -153.52 | -160.57 | ± 0.77 | kJ/mol | 43.0452 ± 0.0016 | 35731-40-9*0 | Ketene | CH2CO (g, singlet) | -45.44 | -48.56 | ± 0.15 | kJ/mol | 42.0367 ± 0.0016 | 463-51-4*2 | COC vdW | (CO)(C) (g, triplet) | 589.1 | 597.8 | ± 1.8 | kJ/mol | 40.0208 ± 0.0016 | *12071-24-8*1 | Oxirene | O(CHCH) (g, singlet) | 276.6 | 276.0 | ± 3.1 | kJ/mol | 42.0367 ± 0.0016 | 157-18-6*2 | Oxirene | O(CHCH) (g, c-triplet) | 391.9 | 387.8 | ± 2.8 | kJ/mol | 42.0367 ± 0.0016 | 157-18-6*12 | Methylperoxy anion | [CH3OO]- (g) | -90.23 | -100.37 | ± 0.99 | kJ/mol | 47.0339 ± 0.0010 | 35683-44-4*0 | Dioxymethyl | H2COO (g) | 113.6 | 106.6 | ± 1.2 | kJ/mol | 46.0254 ± 0.0010 | 56077-92-0*0 | Formyloxoniumylidene | [HC(O)O]+ (g) | 1017.0 | 1013.5 | ± 1.2 | kJ/mol | 45.0169 ± 0.0010 | 54375-27-8*0 | Cyanic acid | HOCN (g) | -12.2 | -14.8 | ± 1.0 | kJ/mol | 43.02478 ± 0.00086 | 420-05-3*0 | Fulminic acid | HONC (g) | 234.7 | 233.2 | ± 1.1 | kJ/mol | 43.02478 ± 0.00086 | 506-85-4*0 | Cyanato cation | [NCO]+ (g) | 1261.57 | 1262.34 | ± 0.59 | kJ/mol | 42.01629 ± 0.00086 | 17247-99-3*0 | Isocyanate | [NCO]- (g) | -221.24 | -221.36 | ± 0.57 | kJ/mol | 42.01739 ± 0.00086 | 71000-82-3*0 | Nitrosomethylidyne | CNO (g) | 388.6 | 390.0 | ± 1.7 | kJ/mol | 42.01684 ± 0.00086 | 82267-15-0*0 | Oxazirinyl | C(NO) (g) | 450.6 | 451.5 | ± 1.7 | kJ/mol | 42.01684 ± 0.00086 | 228850-18-8*0 | Azido radical | N3 (g) | 452.51 | 449.92 | ± 0.73 | kJ/mol | 42.02022 ± 0.00021 | 12596-60-0*0 | Methyl formate | HC(O)OCH3 (g, anti-eclipsed) | -324.7 | -337.2 | ± 1.8 | kJ/mol | 60.0520 ± 0.0017 | 107-31-3*2 | Dimethylamine | (CH3)2NH (g) | 6.02 | -15.88 | ± 0.69 | kJ/mol | 45.0837 ± 0.0017 | 124-40-3*0 | Trimethylamine | (CH3)3N (g) | 4.54 | -24.02 | ± 0.64 | 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 | Oxywater | (H2O)O (g) | 65.0 | 58.5 | ± 1.2 | kJ/mol | 34.01468 ± 0.00062 | 171363-09-0*0 | Nitroxyl | NO3 (g) | 79.35 | 74.09 | ± 0.19 | kJ/mol | 62.00494 ± 0.00090 | 12033-49-7*0 | Difluorodibromomethane | CF2Br2 (g) | -366.6 | -384.2 | ± 1.4 | kJ/mol | 209.8155 ± 0.0022 | 75-61-6*0 | Dichlorodibromomethane | CCl2Br2 (g) | 19.2 | 3.6 | ± 1.5 | kJ/mol | 242.7241 ± 0.0028 | 594-18-3*0 | Bromodifluoromethane | CHF2Br (g) | -411.03 | -424.23 | ± 0.50 | kJ/mol | 130.9194 ± 0.0013 | 1511-62-2*0 | Hydrogen fluoride | HF (aq, 40 H2O) | | -321.16 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*821 | 1,2-Difluoroacetylene | FCCF (g) | 1.4 | 4.3 | ± 1.3 | 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 | 2-Hydrotrioxy cation | [OO(H)O]+ (g) | 1297.8 | 1291.2 | ± 1.3 | kJ/mol | 49.00559 ± 0.00090 | *74241-49-9*0 | Trioxidaniumyl | [HOOOH]+ (g, t, t) | 927.1 | 917.8 | ± 1.4 | kJ/mol | 50.01353 ± 0.00091 | 161321-37-5*2 | Triiodide ion | [I3]- (aq) | | -51.46 | ± 0.83 | kJ/mol | 380.713959 ± 0.000090 | 14900-04-0*800 | Phenylium | [C6H5]+ (g, triplet) | 1251.7 | 1239.6 | ± 3.3 | kJ/mol | 77.1034 ± 0.0048 | 17333-73-2*1 | Chlorobenzene cation | [C6H5Cl]+ (g) | 942.52 | 928.60 | ± 0.61 | kJ/mol | 112.5561 ± 0.0049 | 55450-32-3*0 | Chlorobenzene | C6H5Cl (cr,l) | | 11.27 | ± 0.59 | kJ/mol | 112.5566 ± 0.0049 | 108-90-7*500 | Bromobenzene cation | [C6H5Br]+ (g) | 995.1 | 973.8 | ± 1.3 | kJ/mol | 157.0074 ± 0.0049 | 55450-33-4*0 | Iodobenzene | C6H5I (cr,l) | 113.0 | 113.1 | ± 1.1 | kJ/mol | 204.0084 ± 0.0048 | 591-50-4*500 | 1,2-Dichloroethane | (CClH2)2 (g) | -118.17 | -130.11 | ± 0.59 | kJ/mol | 98.9586 ± 0.0024 | 107-06-2*0 | Fluorochlorate | [ClF]- (g) | -257.9 | -257.3 | ± 3.8 | kJ/mol | 54.45165 ± 0.00090 | 12272-56-9*0 | Nitrosyl chloride | ClNO (g) | 54.420 | 52.518 | ± 0.066 | kJ/mol | 65.45884 ± 0.00095 | 2696-92-6*0 | Carbon atom anion | C- (g) | 589.618 | 594.765 | ± 0.055 | kJ/mol | 12.01125 ± 0.00080 | 14337-00-9*0 | Dioxymethylidyne | COO (g) | 295.1 | 296.3 | ± 2.1 | kJ/mol | 44.0095 ± 0.0010 | 791121-04-5*0 | Carbon monoxide cation | [CO]+ (g) | 1238.308 | 1241.588 | ± 0.026 | kJ/mol | 28.00955 ± 0.00085 | 12144-04-6*0 | Propynylidyne cation | [C(CC)]+ (g) | 1954.9 | 1962.0 | ± 2.3 | kJ/mol | 36.0316 ± 0.0024 | 154702-35-9*0 | Dioxaziridinyl | N(OO) (g) | 354.3 | 351.8 | ± 1.4 | kJ/mol | 46.00554 ± 0.00060 | 66252-29-7*0 | Ethylene cation | [C2H4]+ (g) | 1075.37 | 1068.22 | ± 0.14 | kJ/mol | 28.0526 ± 0.0016 | 34470-02-5*0 | Peroxyimidogen | NOO (g) | 409.8 | 407.9 | ± 1.7 | kJ/mol | 46.00554 ± 0.00060 | *60488-31-5*0 | Aminomethyl | CH2NH2 (g) | 159.6 | 148.7 | ± 1.1 | kJ/mol | 30.04920 ± 0.00085 | 10507-29-6*0 | Methylamidogen | CH3NH (g) | 187.81 | 177.08 | ± 0.89 | kJ/mol | 30.04920 ± 0.00085 | 15622-51-2*0 | Oxadiazirine | O(NN) (g) | 352.5 | 350.6 | ± 1.8 | kJ/mol | 44.01288 ± 0.00033 | 227934-45-4*0 | Iminomethyl anion | [HCNH]- (g, trans) | 239.0 | 235.2 | ± 2.0 | kJ/mol | 28.03387 ± 0.00082 | 90623-30-6*1 | Hydrogen fluoride | HF (aq, 22 H2O) | | -321.09 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*902 | Hydrogen isocyanide | HNC (g) | 191.57 | 191.96 | ± 0.57 | kJ/mol | 27.02538 ± 0.00081 | 6914-07-4*0 | Dioxygenyl ion monohydrate | [(H2O)(O2)]+ (g) | 828.6 | 821.8 | ± 1.9 | kJ/mol | 50.01353 ± 0.00091 | 11083-61-7*0 | Hydrogen fluoride | HF (aq, 35 H2O) | | -321.14 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*904 | Ammonia | NH3 (aq, undissoc) | | -80.893 | ± 0.053 | kJ/mol | 17.03056 ± 0.00022 | 7664-41-7*1000 | Methyleneoxonium | CH2OH2 (g) | 158.0 | 149.2 | ± 4.1 | kJ/mol | 32.04186 ± 0.00090 | 177788-17-9*0 | Trihydrogen dioxide anion | [HOHOH]- (g) | -487.1 | -495.4 | ± 1.0 | kJ/mol | 35.02317 ± 0.00064 | 12501-19-8*0 | NON | NON (g) | 543.8 | 540.6 | ± 1.8 | kJ/mol | 44.01288 ± 0.00033 | 227934-46-5*0 | Bifluoride | [FHF]- (g) | -710.3 | -714.1 | ± 2.4 | kJ/mol | 39.005295 ± 0.000070 | 18130-74-0*0 | 2-Propynylium | [CH2CCH]+ (g) | 1193.34 | 1190.53 | ± 0.39 | kJ/mol | 39.0554 ± 0.0024 | 21540-27-2*0 | Hydrogen fluoride | HF (aq, 50 H2O) | | -321.19 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*822 | 2-Cyclopropen-1-ylium-1-yl | [C(CHCH)]+ (g) | 1382.0 | 1381.0 | ± 1.2 | kJ/mol | 38.0474 ± 0.0024 | 85398-75-0*0 | Trifluoromethide | [CF3]- (g) | -638.3 | -640.2 | ± 1.9 | kJ/mol | 69.00646 ± 0.00080 | 54128-17-5*0 | Propenediylidene | CHCHC (g) | 796.1 | 797.2 | ± 1.3 | kJ/mol | 38.0480 ± 0.0024 | 60731-11-5*0 | Isobutane | CH3CH(CH3)2 (g) | -106.67 | -135.27 | ± 0.37 | kJ/mol | 58.1222 ± 0.0033 | 75-28-5*0 | Chloride | Cl- (aq) | | -166.993 | ± 0.023 | kJ/mol | 35.45325 ± 0.00090 | 16887-00-6*800 | 1-Hydroxyethylium | [CH3CHOH]+ (g) | 609.20 | 594.78 | ± 0.40 | kJ/mol | 45.0600 ± 0.0017 | 18682-96-7*0 | Acetaldehyde cation | [CH3CHO]+ (g) | 831.99 | 822.01 | ± 0.31 | kJ/mol | 44.0520 ± 0.0017 | 36505-03-0*0 | Nitrosyl nitrite | ONONO (g, t, c) | 108.3 | 104.2 | ± 1.8 | kJ/mol | 76.01168 ± 0.00091 | 122413-35-8*2 | 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 | Ethynol anion | [HCCO]- (g) | -48.59 | -47.34 | ± 0.87 | kJ/mol | 41.0293 ± 0.0016 | 64066-01-9*0 | Dicarbon monoxide anion | [CCO]- (g) | 152.6 | 156.3 | ± 1.4 | kJ/mol | 40.0213 ± 0.0016 | 87191-88-6*0 | Nitrogen atom cation | N+ (g) | 1872.901 | 1875.682 | ± 0.024 | kJ/mol | 14.006191 ± 0.000070 | 14158-23-7*0 | Dicarbon monoxide cation | [CCO]+ (g) | 1431.6 | 1436.7 | ± 2.2 | kJ/mol | 40.0203 ± 0.0016 | 12287-08-0*0 | COC vdW | (CO)(C) (g, singlet) | 726.4 | 734.8 | ± 1.7 | kJ/mol | 40.0208 ± 0.0016 | *12071-24-8*2 | C=O-C cation | [COC]+ (g, doublet) | 1575.9 | 1583.0 | ± 2.3 | kJ/mol | 40.0203 ± 0.0016 | 83483-98-1*1 | C=O=C anion | [COC]- (g) | 550.5 | 554.2 | ± 2.1 | kJ/mol | 40.0213 ± 0.0016 | *87191-88-6*0 | Dioxygen anion | [O2]- (g) | -43.38 | -42.74 | ± 0.17 | kJ/mol | 31.99935 ± 0.00060 | 11062-77-4*0 | Formic acid cation | [HC(O)OH]+ (g, anti) | 723.7 | 716.7 | ± 1.4 | kJ/mol | 46.0248 ± 0.0010 | 50614-05-6*2 | Formic acid anion | [HC(O)OH]- (g, syn) | -254.5 | -260.7 | ± 2.2 | kJ/mol | 46.0259 ± 0.0010 | 19066-82-1*1 | Dibromine monoxide | BrOBr (g) | 120.9 | 104.4 | ± 1.4 | kJ/mol | 175.8074 ± 0.0020 | 21308-80-5*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 | Isocyanic acid cation | [HNCO]+ (g) | 1002.82 | 1000.40 | ± 0.56 | kJ/mol | 43.02423 ± 0.00086 | 444010-28-0*0 | Isofulminic acid cation | [HCNO]+ (g) | 1215.5 | 1212.7 | ± 1.6 | kJ/mol | 43.02423 ± 0.00086 | 114766-65-3*0 | Acetic acid | CH3C(O)OH (aq, 1500 H2O) | | -484.90 | ± 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 | Glyoxal | (CHO)2 (g, trans) | -206.84 | -212.48 | ± 0.59 | kJ/mol | 58.0361 ± 0.0017 | 107-22-2*1 | Ammonium nitrate | (NH4)NO3 (cr,l) | -350.26 | -365.22 | ± 0.19 | kJ/mol | 80.04344 ± 0.00095 | 6484-52-2*500 | Diazoethenylidene | NNCC (g) | 656.9 | 659.5 | ± 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 | Tetrachloromethane | CCl4 (l) | -110.59 | -130.00 | ± 0.74 | kJ/mol | 153.8215 ± 0.0037 | 56-23-5*500 | Chloroform | CCl3H (l) | | -133.92 | ± 0.64 | kJ/mol | 119.3767 ± 0.0028 | 67-66-3*590 | Fluorotribromomethane | CBr3F (g) | -108.0 | -132.0 | ± 1.6 | kJ/mol | 270.7211 ± 0.0031 | 353-54-8*0 | Chlorotribromomethane | CBr3Cl (g) | 76.1 | 53.3 | ± 1.6 | kJ/mol | 287.1754 ± 0.0032 | 594-15-0*0 | Hydroxyimidogen | NOH (g) | 217.40 | 214.52 | ± 0.95 | kJ/mol | 31.01408 ± 0.00032 | 35337-59-8*0 | Water | H2O (l) | | -285.825 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*590 | Fluoromethyliumylidene | [CF]+ (g) | 1122.56 | 1125.78 | ± 0.49 | kJ/mol | 31.00855 ± 0.00080 | 33412-11-2*0 | Fluoromethylene | CHF (g) | 148.34 | 148.62 | ± 0.46 | kJ/mol | 32.01704 ± 0.00080 | 13453-52-6*0 | Ethyl iodide | CH3CH2I (g) | 8.67 | -7.21 | ± 0.49 | kJ/mol | 155.9656 ± 0.0016 | 75-03-6*0 | Nitrous acid | HONO (g, cis) | -71.41 | -77.76 | ± 0.33 | kJ/mol | 47.01348 ± 0.00061 | 7782-77-6*2 | Hydroxyoxoammoniumyl | [HONO]+ (g, trans) | 983.6 | 977.2 | ± 1.7 | kJ/mol | 47.01293 ± 0.00061 | 80371-48-8*1 | 1,2-Dichloroacetylene | ClCCCl (g) | 230.4 | 233.7 | ± 1.9 | kJ/mol | 94.9268 ± 0.0024 | 7572-29-4*0 | 1,2-Dibromoacetylene | BrCCBr (g) | 332.9 | 322.0 | ± 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 | Dibromide | [Br2]- (g) | -200.1 | -214.2 | ± 2.0 | kJ/mol | 159.8085 ± 0.0020 | 12595-70-9*0 | Fluorooxomethylium | [FCO]+ (g) | 724.2 | 723.8 | ± 1.5 | kJ/mol | 47.00795 ± 0.00085 | 38264-00-5*0 | Fluoroisoformyl | COF (g) | -39.2 | -33.8 | ± 1.8 | kJ/mol | 47.00850 ± 0.00085 | *1871-24-5*0 | Aminylium | [NH2]+ (g) | 1266.50 | 1263.78 | ± 0.18 | kJ/mol | 16.02207 ± 0.00016 | 15194-15-7*0 | Benzene cation | [C6H6]+ (g) | 992.59 | 976.13 | ± 0.26 | kJ/mol | 78.1113 ± 0.0048 | 34504-50-2*0 | Hydrogen nitroxylate | [HONO]- (g, cis) | -107.8 | -112.4 | ± 2.0 | kJ/mol | 47.01403 ± 0.00061 | 24388-53-2*2 | 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) | 415.6 | 407.0 | ± 1.5 | kJ/mol | 76.0965 ± 0.0048 | 100569-88-8*0 | Chlorine atom cation | Cl+ (g) | 1370.806 | 1372.602 | ± 0.0021 | kJ/mol | 35.45215 ± 0.00090 | 24203-47-2*0 | Hydroxydioxonitrate | [HNO3]- (g) | -191.2 | -195.5 | ± 2.9 | kJ/mol | 63.01343 ± 0.00091 | 58875-09-5*0 | 1,2-Dibromoethane | (CBrH2)2 (g) | -10.8 | -37.6 | ± 1.3 | kJ/mol | 187.8612 ± 0.0026 | 106-93-4*0 | 1,1-Difluoroethane | CHF2CH3 (g) | -486.7 | -500.4 | ± 5.7 | kJ/mol | 66.0500 ± 0.0016 | 75-37-6*0 | 1,1-Dichloroethane | CHCl2CH3 (g) | -114.7 | -127.4 | ± 1.1 | kJ/mol | 98.9586 ± 0.0024 | 75-34-3*0 | Hydrogen fluoride | HF (aq, 18 H2O) | | -321.06 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*901 | Dioxaziridinyl anion | [N(OO)]- (g) | 295.5 | 293.0 | ± 1.5 | kJ/mol | 46.00609 ± 0.00060 | 66252-31-1*0 | Ethylidyne | CH3C (g, quartet) | 641.2 | 636.7 | ± 1.8 | kJ/mol | 27.0452 ± 0.0016 | 67624-57-1*2 | Acetylene anion | [HCCH]- (g, trans) | 359.5 | 359.3 | ± 3.0 | kJ/mol | 26.0378 ± 0.0016 | 50443-89-5*1 | Peroxyimidogen anion | [NOO]- (g) | 162.9 | 160.6 | ± 1.6 | kJ/mol | 46.00609 ± 0.00060 | 60488-31-5*0 | Methylammonium | [CH3NH3]+ (g) | 628.8 | 609.7 | ± 2.5 | kJ/mol | 32.06453 ± 0.00091 | 17000-00-9*0 | Nitric acid | HNO3 (aq, 1000 H2O) | | -206.28 | ± 0.19 | kJ/mol | 63.01288 ± 0.00091 | 7697-37-2*839 | Nirous oxide cation | [NNO]+ (g) | 1329.68 | 1326.78 | ± 0.12 | kJ/mol | 44.01233 ± 0.00033 | 12269-46-4*0 | Iminomethyl anion | [HCNH]- (g, cis) | 254.3 | 250.5 | ± 2.0 | kJ/mol | 28.03387 ± 0.00082 | 90623-30-6*2 | Hydrogen cyanide cation | [HCN]+ (g) | 1442.53 | 1442.06 | ± 0.21 | kJ/mol | 27.02483 ± 0.00081 | 12601-62-6*0 | Hydrogen peroxide cation | [H2O2]+ (g, cis) | 930.90 | 924.04 | ± 0.94 | kJ/mol | 34.01413 ± 0.00062 | 12325-10-9*2 | Methyleneoxonium cation | [CH2OH2]+ (g) | 829.9 | 819.7 | ± 4.5 | kJ/mol | 32.04131 ± 0.00090 | *177788-17-9*0 | Oxadiazirine anion | [O(NN)]- (g) | 99.7 | 100.0 | ± 2.6 | kJ/mol | 44.01343 ± 0.00033 | 350586-31-1*0 | Hydroxymethylide | [CH2OH]- (g) | 9.6 | 3.0 | ± 1.8 | kJ/mol | 31.03447 ± 0.00088 | 55830-71-2*0 | Formaldehyde cation | [H2CO]+ (g) | 945.26 | 941.73 | ± 0.13 | kJ/mol | 30.02543 ± 0.00087 | 54288-05-0*0 | (Z)-Diazene cation | [HNNH]+ (g, cis) | 1157.3 | 1150.5 | ± 1.4 | kJ/mol | 30.02881 ± 0.00020 | 86631-37-0*0 | Hydroxymethylene cation | [HCOH]+ (g, cis) | 987.0 | 983.4 | ± 1.7 | kJ/mol | 30.02543 ± 0.00087 | 135395-06-1*2 | Hydroxymethylene cation | [HCOH]+ (g, gauche quartet) | 1481.9 | 1479.1 | ± 2.1 | kJ/mol | 30.02543 ± 0.00087 | 135395-06-1*3 | (Z)-Diazene anion | [HNNH]- (g, cis) | 284.1 | 277.6 | ± 1.7 | kJ/mol | 30.02991 ± 0.00020 | *86631-37-0*0 | Hydroxymethylene anion | [HCOH]- (g, cis) | 161.6 | 159.7 | ± 1.9 | kJ/mol | 30.02653 ± 0.00087 | 207914-87-2*2 | Hydroxymethylene anion | [HCOH]- (g, gauche quartet) | 333.7 | 333.0 | ± 2.5 | kJ/mol | 30.02653 ± 0.00087 | 207914-87-2*3 | Aquacarbon | H2OC (g, triplet) | 441.4 | 439.5 | ± 2.1 | kJ/mol | 30.02598 ± 0.00087 | 81434-73-3*1 | Aquacarbon | H2OC (g, singlet vdW) | 470.2 | 467.5 | ± 2.4 | kJ/mol | 30.02598 ± 0.00087 | 81434-73-3*102 | Dioxygen difluoride cation | [FOOF]+ (g, trans) | 1293.0 | 1289.1 | ± 4.6 | kJ/mol | 69.99506 ± 0.00060 | *7783-44-0*1 | Isoformyl anion | [COH]- (g) | 50.8 | 53.4 | ± 2.7 | kJ/mol | 29.01859 ± 0.00086 | 81747-63-9*0 | 1-Hydrazinylium-1-yl | [H2NN]+ (g) | 1145.2 | 1138.2 | ± 1.5 | kJ/mol | 30.02881 ± 0.00020 | 63986-30-1*0 | Isodiazene anion | [H2NN]- (g) | 387.1 | 380.3 | ± 1.8 | kJ/mol | 30.02991 ± 0.00020 | *63986-30-1*0 | Trioxidaniumyl | [HOOOH]+ (g, c, t) | 937.1 | 928.0 | ± 1.4 | kJ/mol | 50.01353 ± 0.00091 | 161321-37-5*3 | Hydrogen bromide | HBr (aq, 600 H2O) | | -120.47 | ± 0.15 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*834 | Hydrogen bromide | HBr (aq, 5000 H2O) | | -120.77 | ± 0.15 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*844 | Propynylidene cation | [HCCCH]+ (g) | 1410.8 | 1413.4 | ± 1.2 | kJ/mol | 38.0474 ± 0.0024 | 75123-91-0*0 | Propynylidene | HCCCH (g, cis singlet) | 597.8 | 599.6 | ± 1.5 | kJ/mol | 38.0480 ± 0.0024 | 67152-18-5*3 | Propadienylidenide | [CH2CC]- (g) | 381.24 | 382.14 | ± 0.44 | 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 | 1,5-Hexadiene | CH2CHCH2CH2CHCH2 (g) | 108.34 | 83.75 | ± 0.40 | kJ/mol | 82.1436 ± 0.0049 | 592-42-7*0 | Nitric acid | HNO3 (cr,l) | -178.98 | -173.25 | ± 0.19 | kJ/mol | 63.01288 ± 0.00091 | 7697-37-2*500 | Trioxodinitrate anion | [ONNO2]- (g, vdW) | -103.0 | -106.9 | ± 2.9 | kJ/mol | 76.01223 ± 0.00091 | 194856-62-7*100 | 2-Hydroxyethylium | [CH2CH2OH]+ (g, gauche) | 1024.7 | 1012.2 | ± 2.3 | kJ/mol | 45.0600 ± 0.0017 | 38607-31-7*1 | Hydrogen chloride | HCl (aq, 100 H2O) | | -165.759 | ± 0.025 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*828 | Ethoxy | CH3CH2O (g) | 1.67 | -11.76 | ± 0.52 | kJ/mol | 45.0605 ± 0.0017 | 2154-50-9*0 | Ethyloxoniumylidene | [CH3CH2O]+ (g) | 988.9 | 975.2 | ± 1.8 | kJ/mol | 45.0600 ± 0.0017 | 54387-07-4*0 | Dihydrogen cation | [H2]+ (g) | 1488.364 | 1488.480 | ± 0.000 | kJ/mol | 2.01533 ± 0.00014 | 12184-90-6*0 | Carbon dioxide | CO2 (g, triplet) | 48.9 | 49.6 | ± 2.4 | kJ/mol | 44.0095 ± 0.0010 | 124-38-9*1 | Formylmethyl anion | [CH2CHO]- (g, perp triplet) | 140.6 | 134.3 | ± 1.9 | kJ/mol | 43.0452 ± 0.0016 | 64723-93-9*0 | Hydroxylamine | NH2OH (g, cis) | -14.7 | -25.2 | ± 1.5 | kJ/mol | 33.02996 ± 0.00037 | 7803-49-8*2 | Nitrosyl nitrite anion | [ONONO]- (g, sym) | -100.8 | -104.0 | ± 4.4 | kJ/mol | 76.01223 ± 0.00091 | *122413-35-8*1 | C=O-C cation | [COC]+ (g, quartet) | 1812.2 | 1816.3 | ± 2.3 | kJ/mol | 40.0203 ± 0.0016 | 83483-98-1*2 | Hydroxylamine cation | [NH2OH]+ (g) | 858.0 | 848.1 | ± 1.8 | kJ/mol | 33.02941 ± 0.00037 | 62675-55-2*0 | Oxirene cation | [O(CHCH)]+ (g) | 1109.7 | 1106.2 | ± 5.2 | kJ/mol | 42.0361 ± 0.0016 | 94664-69-4*0 | Hydrogen fluoride | HF (l) | | -302.43 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*590 | 2,4,5-Trioxa-1,3-diazabicyclo[1.1.1]pentane | N(O3)N (g) | 602.6 | 593.4 | ± 2.0 | kJ/mol | 76.01168 ± 0.00091 | 224950-18-9*0 | Formic acid anion | [HC(O)OH]- (g, anti) | -239.4 | -245.1 | ± 2.4 | kJ/mol | 46.0259 ± 0.0010 | 19066-82-1*2 | Dinitrogen tetraoxide | O2NNO2 (g) | 20.09 | 10.80 | ± 0.14 | kJ/mol | 92.0111 ± 0.0012 | 10544-72-6*0 | Dioxirane cation | [H2C(OO)]+ (g) | 1051.3 | 1043.7 | ± 2.2 | kJ/mol | 46.0248 ± 0.0010 | 232262-10-1*0 | Dioxymethyl cation | [H2COO]+ (g) | 1076.0 | 1069.2 | ± 1.9 | kJ/mol | 46.0248 ± 0.0010 | 232262-11-2*0 | Hydrogen fluoride | HF (aq, 10 H2O) | | -320.91 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*815 | Dioxymethylene | HCOO (g, cis) | 332.1 | 329.9 | ± 5.9 | kJ/mol | 45.0174 ± 0.0010 | 438586-67-5*2 | 2-Cyclopropyn-1-ylidene | C(CC) (g, triplet) | 905.6 | 912.5 | ± 2.0 | kJ/mol | 36.0321 ± 0.0024 | 102508-15-6*1 | Oxygen atom | O (g, singlet) | 436.666 | 438.523 | ± 0.0021 | kJ/mol | 15.99940 ± 0.00030 | 17778-80-2*2 | Dioxygenyl fluoride cation | [FOO]+ (g) | 1215.2 | 1212.7 | ± 3.0 | kJ/mol | 50.99665 ± 0.00060 | 139584-95-5*0 | Nitroxyl cation | [H2NO]+ (g) | 946.31 | 939.18 | ± 0.84 | kJ/mol | 32.02147 ± 0.00034 | *51375-41-8*0 | Nitrosomethyliumylidene | [CNO]+ (g) | 1509.5 | 1511.8 | ± 2.0 | kJ/mol | 42.01629 ± 0.00086 | 67197-19-7*0 | Fulminate | [CNO]- (g) | 59.4 | 59.6 | ± 2.0 | 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) | | -485.17 | ± 0.23 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*800 | Acetic acid | CH3C(O)OH (aq, 75 H2O) | | -484.70 | ± 0.23 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*825 | Acetic acid | CH3C(O)OH (aq, 700 H2O) | | -484.88 | ± 0.23 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*835 | Hydrogen chloride | HCl (aq, 2000 H2O) | | -166.684 | ± 0.024 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*841 | Methane cation | [CH4]+ (g) | 1150.93 | 1143.81 | ± 0.27 | kJ/mol | 16.04191 ± 0.00085 | 20741-88-2*0 | Glyoxal | (CHO)2 (g, cis) | -188.41 | -193.86 | ± 0.73 | kJ/mol | 58.0361 ± 0.0017 | 107-22-2*2 | Glyoxal | (CHO)2 (g) | -206.84 | -212.40 | ± 0.59 | kJ/mol | 58.0361 ± 0.0017 | 107-22-2*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 | 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 | 1825.8 | ± 3.5 | kJ/mol | 52.0343 ± 0.0016 | *78800-21-2*1 | Cyanomethylidyne | CCN (g) | 676.0 | 680.4 | ± 1.9 | kJ/mol | 38.0281 ± 0.0016 | 4120-02-9*0 | Azide ion | [N3]- (g) | 194.2 | 190.6 | ± 1.1 | kJ/mol | 42.02077 ± 0.00021 | 14343-69-2*0 | Diazomethylene | CNN (g) | 580.9 | 581.5 | ± 2.4 | kJ/mol | 40.02418 ± 0.00081 | 2468-81-7*0 | Trioxidanylium | [HOOO]+ (g, cis) | 1084.9 | 1078.7 | ± 1.4 | kJ/mol | 49.00559 ± 0.00090 | 74241-49-9*2 | Hydrogen chloride | HCl (aq, 75 H2O) | | -165.558 | ± 0.026 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*825 | Fluorochlorobromomethane | CHFClBr (g) | -219.3 | -231.7 | ± 5.5 | kJ/mol | 147.3737 ± 0.0016 | 593-98-6*0 | Aminium | [NH3]+ (g) | 944.269 | 937.314 | ± 0.030 | kJ/mol | 17.03001 ± 0.00022 | 19496-55-0*0 | Fluoromethyliumyl | [CHF]+ (g) | 1116.9 | 1117.2 | ± 2.1 | kJ/mol | 32.01649 ± 0.00080 | 89877-52-1*0 | Fluoromethylene anion | [CHF]- (g) | 95.95 | 96.48 | ± 0.63 | kJ/mol | 32.01759 ± 0.00080 | 71267-42-0*0 | Hexafluoroethane | CF3CF3 (g) | -1325.5 | -1333.8 | ± 1.2 | kJ/mol | 138.0118 ± 0.0016 | 76-16-4*0 | Polytetrafluoroethylene | C2F4 (s) | | -829.59 | ± 0.59 | kJ/mol | 100.0150 ± 0.0016 | 9002-84-0*591 | Diiodide | [I2]- (g) | -178.13 | -180.72 | ± 0.48 | kJ/mol | 253.809489 ± 0.000060 | 12190-71-5*0 | Hydrogen fluoride | HF (aq, 30 H2O) | | -321.13 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*820 | Ethane cation | [C2H6]+ (g) | 1043.54 | 1029.98 | ± 0.60 | kJ/mol | 30.0685 ± 0.0017 | 34488-65-8*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) | 282.4 | 275.9 | ± 2.2 | kJ/mol | 104.9333 ± 0.0019 | 593-61-3*0 | Hydroxyoxoammoniumyl | [HONO]+ (g, cis) | 1014.8 | 1008.5 | ± 1.8 | kJ/mol | 47.01293 ± 0.00061 | 80371-48-8*2 | Formyl fluoride cation | [HFCO]+ (g) | 816.3 | 813.0 | ± 1.3 | kJ/mol | 48.01589 ± 0.00086 | 99766-68-4*0 | Formyl fluoride | [FCO]- (g) | -405.4 | -403.9 | ± 1.7 | kJ/mol | 47.00905 ± 0.00085 | 62227-71-8*0 | Fluoroisoformyl cation | [COF]+ (g) | 1347.4 | 1348.8 | ± 2.2 | kJ/mol | 47.00795 ± 0.00085 | *1871-25-6*0 | Hydrogen difluoride | FHF (g) | -203.6 | -203.7 | ± 2.5 | kJ/mol | 39.004746 ± 0.000070 | 12528-21-1*0 | Hydrogen fluoride | HF (aq, 60 H2O) | | -321.21 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*823 | Iodine atom cation | I+ (g) | 1115.549 | 1115.149 | ± 0.0062 | kJ/mol | 126.903921 ± 0.000030 | 22541-93-1*0 | Hydrogen nitroxylate | [HONO]- (g, trans) | -106.8 | -110.7 | ± 2.0 | kJ/mol | 47.01403 ± 0.00061 | 24388-53-2*1 | Ethylene anion | [C2H4]- (g, anti) | 236.8 | 229.2 | ± 2.2 | kJ/mol | 28.0537 ± 0.0016 | 34527-91-8*1 | Aminyliumyl | [NH]+ (g) | 1658.99 | 1659.91 | ± 0.25 | kJ/mol | 15.014131 ± 0.000099 | 19067-62-0*0 | Nitrous acid | HONO (g) | -73.047 | -78.704 | ± 0.078 | kJ/mol | 47.01348 ± 0.00061 | 7782-77-6*0 | Trifluoride ion | [F3]- (g) | -365.6 | -366.6 | ± 2.5 | kJ/mol | 56.9957582 ± 0.0000015 | 25730-99-8*0 | Water | H2O (l, eq.press.) | | -285.827 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*589 | Aminomethyl anion | [CH2NH2]- (g) | 212.1 | 201.1 | ± 2.8 | kJ/mol | 30.04975 ± 0.00085 | 74215-21-7*0 | Methylaminilium | [CH3NH]+ (g) | 1135.2 | 1125.2 | ± 2.5 | kJ/mol | 30.04865 ± 0.00085 | 49784-84-1*0 | Hydrogen bromide | HBr (aq, 2000 H2O) | | -120.67 | ± 0.15 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*841 | Allylium | [CH2CHCH2]+ (g) | 964.26 | 952.70 | ± 0.55 | kJ/mol | 41.0713 ± 0.0024 | 1724-44-3*0 | 1-Propenyl cation | [CH3CHCH]+ (g, cis) | 1232.7 | 1222.4 | ± 1.7 | kJ/mol | 41.0713 ± 0.0024 | 50457-58-4*2 | 1-Propenyl anion | [CH3CHCH]- (g, cis) | 203.7 | 192.4 | ± 1.8 | kJ/mol | 41.0723 ± 0.0024 | 65887-20-9*2 | Hydrogen chloride | HCl (aq, 1500 H2O) | | -166.638 | ± 0.025 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*840 | 1-Propenyl cation | [CH3CHCH]+ (g, trans) | 1234.3 | 1223.9 | ± 1.7 | kJ/mol | 41.0713 ± 0.0024 | 50457-58-4*1 | 1-Propenyl anion | [CH3CHCH]- (g, trans) | 210.2 | 199.1 | ± 1.8 | kJ/mol | 41.0723 ± 0.0024 | 65887-20-9*1 | Cyclopropyl | CH(CH2CH2) (g) | 301.2 | 288.6 | ± 4.7 | kJ/mol | 41.0718 ± 0.0024 | 2417-82-5*0 | Hydrogen fluoride | HF (aq, 55 H2O) | | -321.20 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*905 | Carbon atom | C (g, singlet) | 833.326 | 838.472 | ± 0.055 | kJ/mol | 12.01070 ± 0.00080 | 7440-44-0*2 | Methanimine cation | [H2CNH]+ (g) | 1055.9 | 1048.8 | ± 2.1 | kJ/mol | 29.04071 ± 0.00083 | 65130-65-6*0 | Cycloprop-2-enylium | [CH(CHCH)]+ (g) | 1080.9 | 1075.8 | ± 1.4 | kJ/mol | 39.0554 ± 0.0024 | 26810-74-2*0 | Methanimine anion | [H2CNH]- (g) | 228.7 | 221.4 | ± 2.5 | kJ/mol | 29.04181 ± 0.00083 | 127593-73-1*0 | Propynylidene | HCCCH (g, trans singlet) | 596.6 | 598.4 | ± 1.1 | kJ/mol | 38.0480 ± 0.0024 | 67152-18-5*4 | Aminomethyliumyl | [HCNH2]+ (g) | 1040.8 | 1033.1 | ± 2.6 | kJ/mol | 29.04071 ± 0.00083 | 89302-94-3*0 | Aminomethylene anion | [HCNH2]- (g) | 357.2 | 350.2 | ± 2.5 | kJ/mol | 29.04181 ± 0.00083 | 207914-86-1*0 | Cyclopropyne | CH2(CC) (g) | 791.1 | 790.6 | ± 1.4 | kJ/mol | 38.0480 ± 0.0024 | 60701-63-5*0 | Nitrate | [NO3]- (aq) | | -206.60 | ± 0.19 | kJ/mol | 62.00549 ± 0.00090 | 14797-55-8*800 | Fluoroniumyl ion | [HF]+ (g) | 1275.591 | 1275.823 | ± 0.057 | kJ/mol | 20.005795 ± 0.000070 | 12381-92-9*0 | Cyclopropenyliumdiyl | [CH(CC)]+ (g) | 1692.1 | 1695.0 | ± 1.9 | kJ/mol | 37.0395 ± 0.0024 | 127476-05-5*0 | Cyclopropynyl anion | [CH(CC)]- (g) | 517.9 | 520.9 | ± 1.1 | kJ/mol | 37.0406 ± 0.0024 | 136861-42-2*0 | Diazene ion | [N2H]- (g) | 176.5 | 175.1 | ± 2.2 | kJ/mol | 29.02197 ± 0.00016 | 71004-29-0*0 | Hydrazinylium | [N2H3]+ (g) | 969.6 | 958.4 | ± 1.2 | kJ/mol | 31.03675 ± 0.00025 | 37369-93-0*0 | Ethyloxoniumyl | [CH3CH2OH]+ (g) | 795.40 | 778.27 | ± 0.76 | kJ/mol | 46.0679 ± 0.0017 | 34480-55-2*0 | Ethanol | CH3CH2OH (l) | -269.29 | -277.05 | ± 0.22 | kJ/mol | 46.0684 ± 0.0017 | 64-17-5*500 | Methylaminyliumyl | [H3CN]+ (g, quartet) | 1478.4 | 1471.3 | ± 2.6 | kJ/mol | 29.04071 ± 0.00083 | 56924-51-7*2 | Dioxygen difluoride cation | [FOOF]+ (g, cis) | 1295.8 | 1291.7 | ± 4.6 | kJ/mol | 69.99506 ± 0.00060 | *7783-44-0*2 | Methylimidogen anion | [H3CN]- (g) | 322.3 | 314.6 | ± 1.7 | kJ/mol | 29.04181 ± 0.00083 | 82539-34-2*0 | 1-Hydroxyethyl anion | [CH3CHOH]- (g) | -19.8 | -33.2 | ± 2.5 | kJ/mol | 45.0610 ± 0.0017 | 88032-18-2*0 | Hypochlorous acid anion | [HOCl]- (g) | 194.2 | 193.9 | ± 3.0 | kJ/mol | 52.46059 ± 0.00095 | 34524-94-2*0 | Nirous oxide anion | [NNO]- (g) | 100.3 | 97.7 | ± 1.9 | kJ/mol | 44.01343 ± 0.00033 | 12274-12-3*0 | Methyleneaminylium | [H2CN]+ (g, triplet) | 1457.2 | 1453.6 | ± 2.5 | kJ/mol | 28.03277 ± 0.00082 | 53518-13-1*1 | Fluorine atom cation | F+ (g) | 1758.335 | 1760.634 | ± 0.055 | kJ/mol | 18.99785462 ± 0.00000050 | 14701-13-4*0 | Acetaldehyde anion | [CH3CHO]- (g) | -59.3 | -69.8 | ± 2.5 | kJ/mol | 44.0531 ± 0.0017 | 60427-04-5*0 | Dinitrogen cation | [N2]+ (g) | 1503.311 | 1503.312 | ± 0.0011 | kJ/mol | 28.01293 ± 0.00014 | 13966-04-6*0 | Trioxodinitrate anion | [ONNO2]- (g, non-vdW only) | -85.5 | -92.6 | ± 2.7 | kJ/mol | 76.01223 ± 0.00091 | 194856-62-7*1 | Hydrogen fluoride | HF (aq, 37 H2O) | | -321.15 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*890 | Hydrogen bromide | HBr (aq, 3000 H2O) | | -120.72 | ± 0.15 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*842 | Fluorosyl fluoride | FFO (g) | 189.2 | 189.6 | ± 4.8 | kJ/mol | 53.99621 ± 0.00030 | 86825-57-2*0 | Dihydrooxooxygen cation | [(H2O)O]+ (g) | 994.6 | 987.9 | ± 1.5 | kJ/mol | 34.01413 ± 0.00062 | 177329-59-8*0 | Bromosyl ion | [BrO]+ (g) | 1139.5 | 1131.7 | ± 1.6 | kJ/mol | 95.9029 ± 0.0010 | 142315-39-7*0 | Ketene cation | [CH2CO]+ (g) | 882.13 | 879.11 | ± 0.15 | kJ/mol | 42.0361 ± 0.0016 | 64999-16-2*0 | Ketene anion | [CH2CO]- (g) | -14.7 | -17.7 | ± 2.4 | kJ/mol | 42.0372 ± 0.0016 | 56391-79-8*0 | Hydrogen chloride | HCl (aq, 2439 H2O) | | -166.714 | ± 0.024 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*951 | Oxoethenylium | [HCCO]+ (g) | 1139.0 | 1141.7 | ± 2.5 | kJ/mol | 41.0282 ± 0.0016 | 92056-63-8*0 | Hydrogen fluoride | HF (aq, 55.51 H2O) | | -321.20 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*891 | Nitrosyl nitrite anion | [ONONO]- (g, t, c) | -97.4 | -100.6 | ± 4.4 | kJ/mol | 76.01223 ± 0.00091 | *122413-35-8*2 | Bromine dioxide | OBrO (g) | 167.8 | 158.2 | ± 2.8 | kJ/mol | 111.9028 ± 0.0012 | 21255-83-4*0 | Hydrogen fluoride | HF (aq, 22.2 H2O) | | -321.09 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*888 | Aminomethyliumylidene | [CNH2]+ (g) | 1168.9 | 1165.7 | ± 2.6 | kJ/mol | 28.03277 ± 0.00082 | 86784-42-1*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) | 834.7 | 822.1 | ± 5.7 | kJ/mol | 48.0407 ± 0.0010 | 112465-88-0*0 | Methoxyoxoniumylidene | [CH3OO]+ (g) | 1010.9 | 1002.5 | ± 2.4 | kJ/mol | 47.0328 ± 0.0010 | 86475-50-5*0 | Hydrogen cyanide anion | [HCN]- (g) | 239.6 | 240.0 | ± 2.7 | kJ/mol | 27.02593 ± 0.00081 | 12334-27-9*0 | Hydrogen fluoride | HF (aq, 23 H2O) | | -321.09 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*903 | Dioxirane anion | [H2C(OO)]- (g) | -170.5 | -177.9 | ± 3.9 | kJ/mol | 46.0259 ± 0.0010 | *157-26-6*0 | Ammonium chloride | (NH4)Cl (cr) | -311.730 | -314.892 | ± 0.063 | kJ/mol | 53.49120 ± 0.00095 | 12125-02-9*510 | Dioxymethyl anion | [H2COO]- (g) | 57.2 | 51.2 | ± 2.5 | kJ/mol | 46.0259 ± 0.0010 | 93207-29-5*0 | Formyloxy | HC(O)O (g) | -124.68 | -126.04 | ± 0.53 | 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 | Dioxymethylene | HCOO (g, trans) | 359.1 | 356.7 | ± 5.9 | kJ/mol | 45.0174 ± 0.0010 | 438586-67-5*1 | 2-Cyclopropyn-1-ylidene | C(CC) (g, singlet) | 999.7 | 1006.5 | ± 2.6 | kJ/mol | 36.0321 ± 0.0024 | 102508-15-6*2 | Nitrosyl nitrate | ONONO2 (g, cis) | 59.5 | 51.8 | ± 2.2 | kJ/mol | 92.0111 ± 0.0012 | 15969-55-8*2 | Nitrogen hydride oxide | H3NO (g) | 72.3 | 61.1 | ± 1.7 | kJ/mol | 33.02996 ± 0.00037 | 38544-48-8*0 | Nitroxyl anion | [H2NO]- (g) | 49.3 | 42.3 | ± 1.8 | kJ/mol | 32.02257 ± 0.00034 | 51375-41-8*0 | Oxazirinyl cation | [C(NO)]+ (g) | 1566.7 | 1567.4 | ± 2.8 | kJ/mol | 42.01629 ± 0.00086 | *228850-18-8*0 | Oxazirinyl anion | [C(NO)]- (g) | 449.8 | 450.6 | ± 2.8 | kJ/mol | 42.01739 ± 0.00086 | 28269-68-3*0 | Acetic acid | CH3C(O)OH (g, syn-anti equilib) | -418.72 | -432.84 | ± 0.62 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*0 | Bifluoride | [FFH]- (g) | -477.1 | -477.5 | ± 3.2 | kJ/mol | 39.005295 ± 0.000070 | *18130-74-0*0 | Hydrogen chloride | HCl (aq, 150 H2O) | | -165.981 | ± 0.025 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*829 | Ammonium bromide | (NH4)Br (cr) | -253.72 | -270.30 | ± 0.16 | kJ/mol | 97.9425 ± 0.0010 | 12124-97-9*510 | (Formyloxy)methyl | HC(O)OCH2 (g, syn) | -148.8 | -156.9 | ± 1.6 | kJ/mol | 59.0440 ± 0.0017 | 3122-12-1*1 | (Formyloxy)methyl | HC(O)OCH2 (g, anti) | -133.5 | -141.7 | ± 1.9 | kJ/mol | 59.0440 ± 0.0017 | 3122-12-1*2 | Trinitrogen cation | [N3]+ (g) | 1519.4 | 1516.9 | ± 1.2 | kJ/mol | 42.01967 ± 0.00021 | 12185-03-4*0 | Oxalic acid | (COOH)2 (g) | -710.8 | -721.4 | ± 2.1 | kJ/mol | 90.0349 ± 0.0020 | 144-62-7*0 | Isocyanogen anion | [CNCN]- (g, cis) | 386.7 | 389.6 | ± 2.9 | kJ/mol | 52.0354 ± 0.0016 | *83951-85-3*2 | Diisocyanogen cation | [CNNC]+ (g, cis) | 1835.0 | 1837.7 | ± 3.5 | kJ/mol | 52.0343 ± 0.0016 | *78800-21-2*2 | Methanol anion | [CH3OH]- (g) | 54.7 | 45.6 | ± 3.1 | kJ/mol | 32.04241 ± 0.00090 | 68474-04-4*0 | Hydrooxonitrate | [HNO]- (g) | 80.0 | 77.1 | ± 1.2 | kJ/mol | 31.01463 ± 0.00032 | 66057-02-1*0 | Cyanoamidogen anion | [HNCN]- (g) | 71.5 | 68.5 | ± 1.6 | 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 | Dinitrogen pentoxide | O2NONO2 (cr,l) | | -41.14 | ± 0.42 | kJ/mol | 108.0105 ± 0.0015 | 10102-03-1*500 | Acetylene anion | [HCCH]- (g, cis) | 383.0 | 383.3 | ± 3.2 | kJ/mol | 26.0378 ± 0.0016 | 50443-89-5*2 | Hypobromous acid cation | [HOBr]+ (g) | 975.17 | 964.58 | ± 0.62 | kJ/mol | 96.9108 ± 0.0010 | 154804-02-1*0 | Chloroniumyl ion | [HCl]+ (g) | 1137.797 | 1137.731 | ± 0.0062 | kJ/mol | 36.46009 ± 0.00090 | 12258-94-5*0 | Hydroxyimidogen anion | [NOH]- (g) | 232.7 | 230.2 | ± 2.5 | kJ/mol | 31.01463 ± 0.00032 | *35337-59-8*0 | Fluorobromomethane | CH2FBr (g) | -198.0 | -212.4 | ± 5.5 | kJ/mol | 112.9290 ± 0.0013 | 373-52-4*0 | Chlorobromomethane | CH2ClBr (g) | -30.7 | -44.7 | ± 5.5 | kJ/mol | 129.3833 ± 0.0016 | 74-97-5*0 | Hypofluorous acid cation | [HOF]+ (g) | 1142.03 | 1139.10 | ± 0.89 | kJ/mol | 36.00519 ± 0.00031 | 90243-22-4*0 | Nitryl ion | [ONO]+ (g) | 961.75 | 958.19 | ± 0.20 | kJ/mol | 46.00499 ± 0.00060 | 14522-82-8*0 | Fluorodibromomethane | CHFBr2 (g) | -159.9 | -179.5 | ± 5.5 | kJ/mol | 191.8250 ± 0.0022 | 1868-53-7*0 | Bromodichloromethane | CHCl2Br (g) | -39.8 | -51.5 | ± 5.5 | kJ/mol | 163.8280 ± 0.0022 | 75-27-4*0 | Chlorodibromomethane | CHClBr2 (g) | 15.8 | -3.0 | ± 5.5 | kJ/mol | 208.2793 ± 0.0023 | 124-48-1*0 | Difluorochlorobromomethane | CF2ClBr (g) | -431.4 | -442.1 | ± 5.5 | kJ/mol | 165.3642 ± 0.0016 | 353-59-3*0 | Dichlorofluorobromomethane | CCl2FBr (g) | -230.2 | -239.9 | ± 5.5 | kJ/mol | 181.8185 ± 0.0022 | 353-58-2*0 | Dibromofluorochloromethane | CBr2FCl (g) | -170.7 | -187.4 | ± 5.5 | kJ/mol | 226.2698 ± 0.0023 | 353-55-9*0 | Methyliumylidene | [CH]+ (g) | 1619.753 | 1623.096 | ± 0.061 | kJ/mol | 13.01809 ± 0.00080 | 24361-82-8*0 | Difluoromethyliumyl | [CF2]+ (g) | 908.48 | 908.91 | ± 0.91 | kJ/mol | 50.00696 ± 0.00080 | 54250-40-7*0 | Methylidyne anion | [CH]- (g) | 474.11 | 477.43 | ± 0.63 | kJ/mol | 13.01919 ± 0.00080 | 28604-54-8*0 | Hypofluorous acid anion | [HOF]- (g) | 152.8 | 152.0 | ± 3.8 | kJ/mol | 36.00629 ± 0.00031 | 36505-07-4*0 | Formaldehyde anion | [H2CO]- (g) | -24.0 | -27.7 | ± 2.1 | kJ/mol | 30.02653 ± 0.00087 | 27837-46-3*0 | Ozone cation | [OOO]+ (g) | 1352.869 | 1350.530 | ± 0.041 | kJ/mol | 47.99765 ± 0.00090 | 12596-82-6*0 | Hydrogen chloride | HCl (aq, 74 H2O) | | -165.548 | ± 0.027 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*953 | Hypochlorous acid cation | [HOCl]+ (g) | 993.8 | 990.7 | ± 3.2 | kJ/mol | 52.45949 ± 0.00095 | 71606-47-8*0 | Trifluorine cation | [F3]+ (g) | 1532.5 | 1530.5 | ± 2.1 | kJ/mol | 56.9946610 ± 0.0000015 | 64710-22-1*0 | Dioxygenyl fluoride anion | [FOO]- (g) | -252.0 | -252.2 | ± 3.1 | kJ/mol | 50.99775 ± 0.00060 | 23553-17-5*0 | Hydrogen chloride | HCl (aq, 140 H2O) | | -165.947 | ± 0.026 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*907 | Difluorophosgene cation | [COF2]+ (g) | 653.15 | 650.52 | ± 0.61 | kJ/mol | 66.00636 ± 0.00085 | 73256-56-1*0 | Difluorophosgene anion | [COF2]- (g) | -603.6 | -605.5 | ± 2.9 | kJ/mol | 66.00745 ± 0.00085 | 474815-26-4*0 | Trioxidanylium | [HOOO]+ (g) | 1070.2 | 1063.9 | ± 1.3 | kJ/mol | 49.00559 ± 0.00090 | 74241-49-9*0 | Methylammoniumyl | [CH3NH2]+ (g) | 866.9 | 853.2 | ± 2.4 | kJ/mol | 31.05659 ± 0.00088 | 34516-31-9*0 | Dioxaziridinyl cation | [N(OO)]+ (g) | 1363.9 | 1361.3 | ± 1.7 | kJ/mol | 46.00499 ± 0.00060 | *66252-29-7*0 | Methylamine anion | [CH3NH2]- (g) | 69.1 | 54.9 | ± 4.0 | kJ/mol | 31.05769 ± 0.00088 | 81096-79-9*0 | Dibromophosgene | COBr2 (l) | | -144.46 | ± 0.95 | kJ/mol | 187.8181 ± 0.0022 | 593-95-3*590 | 2-Chloroethanol | ClCH2CH2OH (l) | | -315.11 | ± 0.54 | kJ/mol | 80.5132 ± 0.0019 | 107-07-3*590 | 2-Bromoethanol | BrCH2CH2OH (l) | | -274.98 | ± 0.47 | kJ/mol | 124.9645 ± 0.0019 | 540-51-2*590 | Dibromine | Br2 (aq) | | -2.16 | ± 0.20 | kJ/mol | 159.8080 ± 0.0020 | 7726-95-6*800 | Ethylene anion | [C2H4]- (g, syn) | 237.7 | 231.6 | ± 2.4 | kJ/mol | 28.0537 ± 0.0016 | 34527-91-8*2 | Phenylium | [C6H5]+ (g, singlet) | 1148.74 | 1136.84 | ± 0.95 | kJ/mol | 77.1034 ± 0.0048 | 17333-73-2*2 | Hydroxyoxoammoniumyl | [HONO]+ (g) | 983.6 | 977.2 | ± 1.7 | kJ/mol | 47.01293 ± 0.00061 | 80371-48-8*0 | Imidogen anion | [NH]- (g) | 322.63 | 322.68 | ± 0.17 | kJ/mol | 15.015229 ± 0.000099 | 23841-33-0*0 | Fluorobenzene | C6H5F (cr,l) | -152.4 | -150.0 | ± 1.1 | kJ/mol | 96.1023 ± 0.0048 | 462-06-6*500 | Nitric acid cation | [HNO3]+ (g) | 1029.30 | 1020.23 | ± 0.70 | kJ/mol | 63.01233 ± 0.00091 | 272109-63-4*0 | Hydrogen bromide | HBr (aq, 2570 H2O) | | -120.70 | ± 0.15 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*952 | 1-Ethylium-1-yl | [CH3CH]+ (g) | 1185.7 | 1178.6 | ± 2.6 | kJ/mol | 28.0526 ± 0.0016 | 85944-79-2*0 | Bromobenzene | C6H5Br (cr,l) | | 60.2 | ± 1.3 | kJ/mol | 157.0079 ± 0.0049 | 108-86-1*500 | Acetone | CH3C(O)CH3 (cr,l) | -244.36 | -247.48 | ± 0.37 | kJ/mol | 58.0791 ± 0.0025 | 67-64-1*500 | 2-Propanol | CH3CHOHCH3 (cr,l) | -305.38 | -318.18 | ± 0.36 | kJ/mol | 60.0950 ± 0.0025 | 67-63-0*500 | Monoammonium succinate | (CH2COOH)2(NH3) (cr) | | -1067.95 | ± 0.72 | kJ/mol | 135.1186 ± 0.0035 | 38457-08-8*510 | Diammonium succinate | (CH2COOH)2(NH3)2 (cr) | | -1182.49 | ± 0.48 | kJ/mol | 152.1492 ± 0.0035 | 2226-88-2*510 | 1,2-Dichloroethane | (CClH2)2 (cr,l) | | -165.26 | ± 0.59 | kJ/mol | 98.9586 ± 0.0024 | 107-06-2*500 | Ethylidene anion | [CH3CH]- (g) | 328.4 | 320.9 | ± 2.1 | kJ/mol | 28.0537 ± 0.0016 | 35829-99-3*0 | 1,1-Dichloroethane | CHCl2CH3 (cr,l) | | -158.1 | ± 1.1 | kJ/mol | 98.9586 ± 0.0024 | 75-34-3*500 | Chlorine fluoride cation | [ClF]+ (g) | 1165.47 | 1165.66 | ± 0.64 | kJ/mol | 54.45055 ± 0.00090 | 12432-44-9*0 | Hydrogen chloride | HCl (aq, 3000 H2O) | | -166.743 | ± 0.024 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*842 | Oxygen difluoride cation | [FOF]+ (g) | 1292.24 | 1289.71 | ± 0.67 | kJ/mol | 53.99566 ± 0.00030 | 39432-25-2*0 | Trioxirane | O(OO) (g) | 274.5 | 271.9 | ± 1.2 | kJ/mol | 47.99820 ± 0.00090 | 153851-84-4*0 | Dioxofluorine | OFO (g) | 522.95 | 521.21 | ± 0.90 | kJ/mol | 50.99720 ± 0.00060 | 175861-93-5*0 | 1,2-Propadien-1-ylium-1-yl-3-ylidene | [CCC]+ (g, lin only) | 1981.7 | 1990.4 | ± 2.2 | kJ/mol | 36.0316 ± 0.0024 | 118090-85-0*1 | Formic acid | HC(O)OH (cr,l) | -431.65 | -424.82 | ± 0.21 | kJ/mol | 46.0254 ± 0.0010 | 64-18-6*500 | 1-Methylethenylium | [CH3CCH2]+ (g) | 996.3 | 986.8 | ± 2.5 | kJ/mol | 41.0713 ± 0.0024 | 50457-57-3*0 | 1-Methylethenyl anion | [CH3CCH2]- (g) | 199.4 | 188.3 | ± 2.8 | kJ/mol | 41.0723 ± 0.0024 | 65887-19-6*0 | Oxadiazirine | [O(NN)]+ (g) | 1512.8 | 1510.3 | ± 2.8 | kJ/mol | 44.01233 ± 0.00033 | *227934-45-4*0 | Trioxygen difluoride | FOOOF (g) | 116.8 | 111.4 | ± 7.8 | kJ/mol | 85.99501 ± 0.00090 | 16829-28-0*0 | Water anion | [H2O]- (g, ?) | -74.2 | -77.1 | ± 4.3 | kJ/mol | 18.01583 ± 0.00033 | 12259-30-2*0 | Ethylidyne anion | [CH3C]- (g) | 458.2 | 453.9 | ± 2.8 | kJ/mol | 27.0458 ± 0.0016 | 117768-70-4*0 | 2-Propen-3-ylium-1-ylidyne | [CHCHC]+ (g) | 1791.1 | 1792.7 | ± 2.6 | kJ/mol | 38.0474 ± 0.0024 | 161054-36-0*0 | Xenon cation | Xe+ (g) | 1170.354 | 1170.354 | ± 0.0062 | kJ/mol | 131.2895 ± 0.0200 | 24203-25-6*0 | Propenediylidene anion | [CHCHC]- (g) | 588.7 | 589.9 | ± 2.3 | kJ/mol | 38.0485 ± 0.0024 | *161054-36-0*0 | Dihydrogen | H2 (g, ortho) | 1.417 | 0.019 | ± 0.000 | kJ/mol | 2.01588 ± 0.00014 | 1333-74-0*1 | Hydraziniumyl | [H2NNH2]+ (g) | 887.4 | 873.7 | ± 2.5 | kJ/mol | 32.04469 ± 0.00031 | 20771-51-1*0 | Bromoniumyl | [HBr]+ (g) | 1097.71 | 1089.86 | ± 0.15 | kJ/mol | 80.9114 ± 0.0010 | 12258-64-9*0 | Hydroxylamine | NH2OH (aq, undissoc) | | -97.1 | ± 2.2 | kJ/mol | 33.02996 ± 0.00037 | 7803-49-8*1000 | Nitric acid | HNO3 (aq, 3 H2O) | | -197.73 | ± 0.19 | kJ/mol | 63.01288 ± 0.00091 | 7697-37-2*805 | Nitric acid monohydrate | HNO3(H2O) (cr,l) | -479.14 | -472.64 | ± 0.19 | kJ/mol | 81.0282 ± 0.0012 | 13444-82-1*500 | Deuterium hydride | HD (g) | 0.328 | 0.319 | ± 0.000 | kJ/mol | 3.022042 ± 0.000070 | 13983-20-5*0 | 1-Ethylium-1-ylidene | [CH3C]+ (g) | 1328.8 | 1325.8 | ± 2.8 | kJ/mol | 27.0447 ± 0.0016 | 78949-84-5*0 | Dioxiranylidene cation | [C(OO)]+ (g) | 1409.3 | 1411.7 | ± 6.0 | kJ/mol | 44.0090 ± 0.0010 | *138832-57-2*0 | Acetic acid | CH3C(O)OH (g, anti) | -397.6 | -411.4 | ± 1.2 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*2 | Peroxyimidogen cation | [NOO]+ (g) | 1408.3 | 1405.5 | ± 2.8 | kJ/mol | 46.00499 ± 0.00060 | *60488-32-6*0 | Acetic acid | CH3C(O)OH (aq, 1000 H2O) | | -484.90 | ± 0.23 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*839 | 1,5-Hexadiene | CH2CHCH2CH2CHCH2 (cr,l) | | 54.42 | ± 0.32 | kJ/mol | 82.1436 ± 0.0049 | 592-42-7*500 | Methyl formate | HC(O)OCH3 (l) | | -386.13 | ± 0.58 | kJ/mol | 60.0520 ± 0.0017 | 107-31-3*500 | Ethylene glycol | (CH2OH)2 (cr,l) | -448.68 | -455.20 | ± 0.38 | kJ/mol | 62.0678 ± 0.0018 | 107-21-1*500 | Methane anion | [CH4]- (g) | 10.4 | 3.1 | ± 4.1 | kJ/mol | 16.04301 ± 0.00085 | 27680-53-1*0 | Deuterium hydride cation | [HD]+ (g) | 1490.498 | 1490.587 | ± 0.000 | kJ/mol | 3.021493 ± 0.000070 | 12181-16-7*0 | Oxalic acid | (COOH)2 (cr) | | -819.28 | ± 0.46 | kJ/mol | 90.0349 ± 0.0020 | 144-62-7*500 | Iodine monochloride | ICl (cr) | -36.511 | -35.537 | ± 0.063 | kJ/mol | 162.35717 ± 0.00090 | 7790-99-0*510 | Dimethylamine | (CH3)2NH (l) | | -41.10 | ± 0.73 | kJ/mol | 45.0837 ± 0.0017 | 124-40-3*500 | Trimethylamine | (CH3)3N (l) | | -45.74 | ± 0.62 | 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) | 281.4 | 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 | Azide ion | [N3]- (aq) | | 272.76 | ± 0.53 | kJ/mol | 42.02077 ± 0.00021 | 14343-69-2*800 | Dioxiranylidene anion | [C(OO)]- (g, open) | -111.6 | -111.1 | ± 3.5 | kJ/mol | 44.0100 ± 0.0010 | *138832-58-3*0 | Nitric acid | HNO3 (aq, 1 H2O) | | -186.81 | ± 0.19 | kJ/mol | 63.01288 ± 0.00091 | 7697-37-2*801 | Cyclopropyl anion | [CH(CH2CH2)]- (g) | 262.7 | 249.9 | ± 4.7 | kJ/mol | 41.0723 ± 0.0024 | 1724-45-4*0 | Diisocyanogen anion | [CNNC]- (g) | 456.7 | 463.6 | ± 5.7 | kJ/mol | 52.0354 ± 0.0016 | *78800-22-3*0 | Diazoethenylidene cation | [NNCC]+ (g) | 1777.0 | 1779.1 | ± 6.1 | kJ/mol | 52.0343 ± 0.0016 | *130760-10-0*0 | Diazoethenylidene anion | [NNCC]- (g) | 536.0 | 538.5 | ± 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 | 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 | ± 5.9 | kJ/mol | 38.0287 ± 0.0016 | *53590-27-5*0 | Nitrogen sesquioxide cation | [ONNO2]+ (g) | 1031.0 | 1027.6 | ± 4.1 | kJ/mol | 76.01113 ± 0.00091 | *10544-73-7*0 | Cyanomethyliumylidene | [CCN]+ (g) | 1711.0 | 1716.5 | ± 6.0 | kJ/mol | 38.0276 ± 0.0016 | 76619-90-4*0 | Cyanomethylidyne anion | [CCN]- (g) | 406.6 | 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) | 1676.3 | 1677.6 | ± 3.0 | kJ/mol | 40.02363 ± 0.00081 | 316122-03-9*0 | Cyanoamidogen anion | [NCN]- (g) | 216.3 | 216.4 | ± 1.4 | kJ/mol | 40.02473 ± 0.00081 | 189879-95-6*0 | Methanol | CH3OH (l) | -235.08 | -238.42 | ± 0.17 | kJ/mol | 32.04186 ± 0.00090 | 67-56-1*500 | Cyanamide | H2NCN (cr) | | 58.91 | ± 0.54 | kJ/mol | 42.04006 ± 0.00082 | 420-04-2*500 | Diazomethyliumyl | [CNN]+ (g) | 1643.4 | 1645.2 | ± 3.7 | kJ/mol | 40.02363 ± 0.00081 | 307495-90-5*0 | Diazomethylene anion | [CNN]- (g) | 409.9 | 410.1 | ± 2.5 | kJ/mol | 40.02473 ± 0.00081 | 205498-92-6*0 | 3H-Diazirin-3-ylidene | C(NN) (g) | 581.6 | 581.9 | ± 3.0 | kJ/mol | 40.02418 ± 0.00081 | 253308-70-2*0 | Trioxidanyl | HOOO (g) | 25.32 | 23.23 | ± 0.13 | kJ/mol | 49.00614 ± 0.00090 | 12500-78-6*0 | Hydrogen chloride | HCl (aq, 200 H2O) | | -166.106 | ± 0.024 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*830 | Hydrazine anion | [H2NNH2]- (g) | 211.0 | 197.1 | ± 3.7 | kJ/mol | 32.04579 ± 0.00031 | 65391-88-0*0 | Bromosyl bromide | BrBrO (g) | 180.5 | 164.7 | ± 2.3 | kJ/mol | 175.8074 ± 0.0020 | 68322-97-4*0 | Oxygen difluoride anion | [FOF]- (g) | -194.0 | -194.4 | ± 3.8 | kJ/mol | 53.99675 ± 0.00030 | *7783-41-7*0 | Trifluorine | F3 (g) | 83.6 | 84.3 | ± 2.4 | kJ/mol | 56.9952096 ± 0.0000015 | 73455-86-4*0 | Methylene chloride | CH2Cl2 (l) | | -123.28 | ± 0.61 | kJ/mol | 84.9320 ± 0.0020 | 75-09-2*590 | Hydrogen chloride | HCl (aq, 1000 H2O) | | -166.567 | ± 0.024 | kJ/mol | 36.46064 ± 0.00090 | 7647-01-0*839 | Hydrogen bromide | HBr (aq, 1000 H2O) | | -120.57 | ± 0.15 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*839 | Hydrazide | [N2H3]- (g) | 252.9 | 243.0 | ± 2.5 | kJ/mol | 31.03785 ± 0.00025 | 25415-88-7*0 | 1-Propynylium | [CH3CC]+ (g) | 1545.8 | 1543.9 | ± 2.6 | kJ/mol | 39.0554 ± 0.0024 | 24858-94-4*0 | Dioxygen difluoride anion | [FOOF]- (g) | -235.6 | -235.8 | ± 5.6 | kJ/mol | 69.99615 ± 0.00060 | *7783-45-1*0 | Fluorosyl fluoride cation | [FFO]+ (g) | 1409.3 | 1409.7 | ± 6.3 | kJ/mol | 53.99566 ± 0.00030 | *86825-50-5*0 | Dioxymethylidyne cation | [COO]+ (g, doublet) | 1434.5 | 1437.8 | ± 3.7 | kJ/mol | 44.0090 ± 0.0010 | *791121-04-5*2 | Fluorosyl fluoride anion | [FFO]- (g) | -53.5 | -52.9 | ± 6.1 | kJ/mol | 53.99675 ± 0.00030 | *86825-57-2*0 | Deuterium atom cation | D+ (g) | 1532.211 | 1534.123 | ± 0.000 | kJ/mol | 2.01355319809 ± 0.00000000040 | 14464-47-2*0 | 1-Ethenylium-1-yl | [CCH2]+ (g) | 1508.6 | 1509.0 | ± 2.7 | kJ/mol | 26.0367 ± 0.0016 | 80541-07-7*0 | Difluoromethylene anion | [CF2]- (g) | -211.12 | -209.89 | ± 0.62 | kJ/mol | 50.00805 ± 0.00080 | 66212-40-6*0 | Ammonia anion | [NH3]- (g) | 38.3 | 31.4 | ± 2.8 | kJ/mol | 17.03111 ± 0.00022 | *76211-32-0*0 | Dihydrogen cation | [H2]+ (g, ortho) | 1489.060 | 1488.480 | ± 0.000 | kJ/mol | 2.01533 ± 0.00014 | 12184-90-6*1 | Fluoromethylidyne anion | [CF]- (g) | 200.6 | 204.1 | ± 2.1 | kJ/mol | 31.00965 ± 0.00080 | 33412-12-3*0 | Hydrochlorate ion | [HCl]- (g) | -25.5 | -24.5 | ± 3.0 | kJ/mol | 36.46119 ± 0.00090 | 63099-75-2*0 | Formaldehyde | H2CO (cr, paraformaldehyde) | | -179.2 | ± 1.6 | kJ/mol | 30.02598 ± 0.00087 | 50-00-0*500 | Hydrogen peroxide | H2O2 (cr,l) | -193.158 | -187.341 | ± 0.080 | kJ/mol | 34.01468 ± 0.00062 | 7722-84-1*500 | Hydrazoic acid cation | [HNNN]+ (g) | 1333.94 | 1328.26 | ± 0.89 | kJ/mol | 43.02761 ± 0.00022 | 58852-14-5*0 | Hydronium radical | (H2O)(H) (g, vdW?) | -19.0 | -22.1 | ± 2.3 | kJ/mol | 19.02322 ± 0.00037 | 12168-76-2*100 | NON cation | [NON]+ (g) | 1444.1 | 1444.3 | ± 2.7 | kJ/mol | 44.01233 ± 0.00033 | *227934-46-5*0 | Ethane anion | [C2H6]- (g) | 8.4 | -7.0 | ± 3.2 | kJ/mol | 30.0696 ± 0.0017 | 54064-82-3*0 | 1,2-Difluoroacetylene cation | [FCCF]+ (g) | 1080.0 | 1083.0 | ± 1.8 | kJ/mol | 62.0177 ± 0.0016 | 268566-70-7*0 | Dioxymethylidyne cation | [(C)(OO)]+ (g, vdW quartet) | 1384.7 | 1389.0 | ± 5.5 | kJ/mol | 44.0090 ± 0.0010 | *791121-04-5*101 | Cycloprop-1-enylium | [CH2(CHC)]+ (g) | 1502.6 | 1498.4 | ± 2.2 | kJ/mol | 39.0554 ± 0.0024 | 117067-78-4*0 | Carbon dioxide cation | [CO2]+ (g, quartet) | 1327.1 | 1328.0 | ± 3.2 | kJ/mol | 44.0090 ± 0.0010 | 12181-61-2*1 | Hydrazoic acid anion | [HNNN]- (g) | 317.4 | 311.0 | ± 2.5 | kJ/mol | 43.02871 ± 0.00022 | 203264-98-6*0 | Ethanide | [CH3CH2]- (g) | 155.2 | 143.5 | ± 1.9 | kJ/mol | 29.0616 ± 0.0016 | 25013-41-6*0 | Hydrogen fluoride | HF (aq, 400 H2O) | | -321.49 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*832 | Cycloprop-1-enyl anion | [CH2(CHC)]- (g) | 373.8 | 369.3 | ± 2.2 | kJ/mol | 39.0565 ± 0.0024 | 80251-77-0*0 | Propane cation | [CH3CH2CH3]+ (g) | 975.0 | 955.1 | ± 1.6 | kJ/mol | 44.0951 ± 0.0025 | 34479-70-4*0 | Cycloprop-2-enyl anion | [CH(CHCH)]- (g) | 515.3 | 512.2 | ± 2.2 | kJ/mol | 39.0565 ± 0.0024 | 20829-57-6*0 | Dioxygen | O2 (g, singlet) | 94.410 | 94.383 | ± 0.000 | kJ/mol | 31.99880 ± 0.00060 | 7782-44-7*2 | 2-Iodoethanol | ICH2CH2OH (l) | | -207.2 | ± 2.4 | kJ/mol | 171.9650 ± 0.0017 | 624-76-0*590 | 1,3-Butadiyne cation | [HCCCCH]+ (g) | 1440.65 | 1441.51 | ± 0.89 | 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 | Methylamine | CH3NH2 (l) | | -44.68 | ± 0.58 | kJ/mol | 31.05714 ± 0.00088 | 74-89-5*500 | Carbon dioxide cation | [CO2]+ (g) | 936.102 | 936.937 | ± 0.023 | kJ/mol | 44.0090 ± 0.0010 | 12181-61-2*0 | Benzene anion | [C6H6]- (g) | 211.7 | 199.3 | ± 3.7 | kJ/mol | 78.1124 ± 0.0048 | 34562-85-1*0 | NON anion | [NON]- (g) | 498.1 | 495.6 | ± 2.7 | kJ/mol | 44.01343 ± 0.00033 | *227934-47-6*0 | Cyclopropenylidene anion | [C(CHCH)]- (g) | 544.3 | 543.8 | ± 2.2 | kJ/mol | 38.0485 ± 0.0024 | *16165-40-5*0 | Peroxynitrous acid | HOONO (g) | -6.14 | -12.77 | ± 0.37 | kJ/mol | 63.01288 ± 0.00091 | 14691-52-2*0 | Nitric acid trihydrate | HNO3(H2O)3 (cr,l) | -1062.05 | -1055.20 | ± 0.21 | kJ/mol | 117.0587 ± 0.0019 | 13444-83-2*500 | Carbon monoxide anion | [CO]- (g) | 34.3 | 38.0 | ± 2.2 | kJ/mol | 28.01065 ± 0.00085 | 12539-63-8*0 | o-Benzyne cation | [C6H4]+ (g) | 1398.9 | 1391.4 | ± 3.0 | kJ/mol | 76.0954 ± 0.0048 | 70220-84-7*0 | Chlorosyl ion | [ClO]+ (g) | 1150.58 | 1150.42 | ± 0.79 | kJ/mol | 51.45155 ± 0.00095 | 12301-79-0*0 | Toluene | C6H5CH3 (g) | 73.69 | 50.41 | ± 0.37 | kJ/mol | 92.1384 ± 0.0056 | 108-88-3*0 | Toluene | C6H5CH3 (l) | 20.11 | 12.36 | ± 0.36 | kJ/mol | 92.1384 ± 0.0056 | 108-88-3*500 | Hydrogen fluoride | HF (aq, 18.5 H2O) | | -321.06 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*887 | 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 only) | 107.157 | 106.757 | ± 0.0021 | kJ/mol | 126.904470 ± 0.000030 | 14362-44-8*1 | Dicarbon monoxide | CCO (g) | 375.0 | 379.0 | ± 1.2 | kJ/mol | 40.0208 ± 0.0016 | 12071-23-7*0 | Carbon dioxide anion | [CO2]- (g) | -340.2 | -339.7 | ± 2.4 | kJ/mol | 44.0100 ± 0.0010 | 14485-07-5*0 | Iodobenzene cation | [C6H5I]+ (g) | 1022.9 | 1007.4 | ± 1.1 | kJ/mol | 204.0078 ± 0.0048 | 38406-85-8*0 | Nitrato | [NO3]+ (g) | 1290.52 | 1285.80 | ± 0.86 | kJ/mol | 62.00439 ± 0.00090 | 133057-96-2*0 | Nitrosobenzene | C6H5NO (g) | 215.6 | 198.6 | ± 1.5 | kJ/mol | 107.1100 ± 0.0048 | 586-96-9*0 | n-Hexane | C6H14 (l) | -180.01 | -198.67 | ± 0.42 | kJ/mol | 86.1754 ± 0.0049 | 110-54-3*500 | 2-Butyne | (CH3)CC(CH3) (g) | 158.73 | 145.77 | ± 0.78 | kJ/mol | 54.0904 ± 0.0032 | 503-17-3*0 | 1-Butene | CH2CHCH2CH3 (g) | 20.95 | -0.01 | ± 0.46 | kJ/mol | 56.1063 ± 0.0032 | 106-98-9*0 | cis-2-Butene | CH3CHCHCH3 (g) | 13.97 | -7.30 | ± 0.51 | kJ/mol | 56.1063 ± 0.0032 | 590-18-1*0 | trans-2-Butene | CH3CHCHCH3 (g) | 9.41 | -11.15 | ± 0.49 | kJ/mol | 56.1063 ± 0.0032 | 624-64-6*0 | Isobutene | CH2C(CH3)2 (g) | 3.54 | -17.52 | ± 0.51 | kJ/mol | 56.1063 ± 0.0032 | 115-11-7*0 | Heptane | C7H16 (l) | -201.46 | -223.91 | ± 0.74 | kJ/mol | 100.2019 ± 0.0057 | 142-82-5*500 | Octane | C8H18 (l) | -226.61 | -249.73 | ± 0.79 | kJ/mol | 114.2285 ± 0.0065 | 111-65-9*500 | 2,2,4-Trimethylpentane | (CH3)2CHCH2C(CH3)3 (l) | -224.4 | -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) | | -365.48 | ± 0.55 | kJ/mol | 86.0892 ± 0.0033 | 431-03-8*500 | 2,3-Butanedione | (CH3CO)2 (g) | -310.00 | -326.57 | ± 0.79 | kJ/mol | 86.0892 ± 0.0033 | 431-03-8*0 | Succinic acid | (CH2COOH)2 (cr,l) | -918.54 | -940.26 | ± 0.13 | kJ/mol | 118.0880 ± 0.0034 | 110-15-6*500 | Ethynylene cation | [C2]+ (g) | 1967.8 | 1974.4 | ± 1.9 | kJ/mol | 24.0209 ± 0.0016 | 12595-79-8*0 | 1,2-Difluoroethane | (CFH2)2 (g) | -437.0 | -450.4 | ± 5.0 | kJ/mol | 66.0500 ± 0.0016 | 624-72-6*0 | Carbide | [C2]- (g) | 504.88 | 511.46 | ± 0.53 | kJ/mol | 24.0219 ± 0.0016 | 12595-78-7*0 | 1,2-Diiodoethane | (CIH2)2 (g) | 87.80 | 73.13 | ± 0.90 | kJ/mol | 281.8621 ± 0.0016 | 624-73-7*0 | 1,2-Diiodoethane | (CIH2)2 (cr,l) | | 9.27 | ± 0.60 | kJ/mol | 281.8621 ± 0.0016 | 624-73-7*500 | Hydrazine | H2NNH2 (cr,l) | 57.38 | 50.82 | ± 0.19 | kJ/mol | 32.04524 ± 0.00031 | 302-01-2*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) | 1038.38 | 1036.60 | ± 0.93 | kJ/mol | 132.2974 ± 0.0200 | 37276-91-8*0 | Methyl bromide | CH3Br (l) | -56.73 | -59.74 | ± 0.19 | kJ/mol | 94.9385 ± 0.0013 | 74-83-9*590 | Bromodioxy | BrOO (g) | 119.3 | 110.2 | ± 4.0 | kJ/mol | 111.9028 ± 0.0012 | 67177-47-3*0 | Hydrazine monohydrate | (H2NNH2)(H2O) (l) | | -242.52 | ± 0.19 | kJ/mol | 50.06052 ± 0.00053 | 7803-57-8*500 | Oxoniumyl ion | [H2O]+ (g, ortho) | 978.475 | 975.571 | ± 0.029 | kJ/mol | 18.01473 ± 0.00033 | 56583-62-1*1 | Deuteride | D- (g) | 146.991 | 148.904 | ± 0.0021 | kJ/mol | 2.01465035791 ± 0.00000000040 | 14452-69-8*0 | Cyclopropane cation | [CH2(CH2CH2)]+ (g) | 1021.8 | 1006.4 | ± 1.6 | kJ/mol | 42.0792 ± 0.0024 | 34496-93-0*0 | Tetraazatetrahedrane | N4 (g) | 763.9 | 757.4 | ± 1.7 | kJ/mol | 56.02696 ± 0.00028 | 12596-63-3*0 | Acetic acid | CH3C(O)OH (aq, 500 H2O) | | -484.88 | ± 0.23 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*833 | Acetic acid | CH3C(O)OH (aq, 10000 H2O) | | -484.93 | ± 0.23 | kJ/mol | 60.0520 ± 0.0017 | 64-19-7*850 | Acetaldehyde | CH3CHO (cr,l) | -186.99 | -191.70 | ± 0.36 | kJ/mol | 44.0526 ± 0.0017 | 75-07-0*500 | Hydrogen fluoride | HF (aq, 45 H2O) | | -321.17 | ± 0.17 | kJ/mol | 20.006343 ± 0.000070 | 7664-39-3*906 | Diatomic bromine cation | [Br2]+ (g) | 1060.33 | 1045.38 | ± 0.23 | kJ/mol | 159.8075 ± 0.0020 | 12595-71-0*0 | Dihydrogen | H2 (g, para) | 0.000 | -0.058 | ± 0.000 | kJ/mol | 2.01588 ± 0.00014 | 1333-74-0*2 | n-Hexane | C6H14 (g) | -130.25 | -167.12 | ± 0.42 | kJ/mol | 86.1754 ± 0.0049 | 110-54-3*0 | Chlorine atom | Cl (g, 2P3/2 only) | 119.621 | 121.228 | ± 0.0021 | kJ/mol | 35.45270 ± 0.00090 | 22537-15-1*1 | Methyl formate | HC(O)OCH3 (g) | -344.74 | -357.79 | ± 0.58 | kJ/mol | 60.0520 ± 0.0017 | 107-31-3*0 | Formaldehyde | H2CO (cr, polyoxymethylene) | | -170.88 | ± 0.21 | kJ/mol | 30.02598 ± 0.00087 | 50-00-0*501 | Water trimer | (H2O)3 (g) | -762.75 | -776.85 | ± 0.21 | kJ/mol | 54.04584 ± 0.00099 | 31014-12-7*0 | Formaldehyde | H2CO (aq) | | -171.13 | ± 0.59 | kJ/mol | 30.02598 ± 0.00087 | 50-00-0*800 | Ethyl bromide | CH3CH2Br (l) | -55.59 | -91.12 | ± 0.28 | kJ/mol | 108.9651 ± 0.0019 | 74-96-4*500 | Dihydrogen cation | [H2]+ (g, para) | 1488.364 | 1488.480 | ± 0.000 | kJ/mol | 2.01533 ± 0.00014 | 12184-90-6*2 | Propylene cation | [CH3CHCH2]+ (g) | 975.36 | 962.40 | ± 0.40 | kJ/mol | 42.0792 ± 0.0024 | 34504-10-4*0 | Vinyl iodide | CH2CHI (g) | 139.4 | 130.6 | ± 1.2 | kJ/mol | 153.9497 ± 0.0016 | 593-66-8*0 | 1-Hydroxyethyl | CH3CHOH (g) | -42.07 | -55.50 | ± 0.62 | kJ/mol | 45.0605 ± 0.0017 | 2348-46-1*0 | Hydrazoic acid | HNNN (aq, undissoc) | | 257.79 | ± 0.54 | kJ/mol | 43.02816 ± 0.00022 | 7782-79-8*1000 | Tribromide ion | [Br3]- (aq) | | -129.54 | ± 0.25 | kJ/mol | 239.7125 ± 0.0030 | 14522-80-6*800 | Deuterium molecule cation | [D2]+ (g) | 1492.286 | 1492.361 | ± 0.000 | kJ/mol | 4.02765497609 ± 0.00000000080 | 12184-84-8*0 | Iodine monochloride | ICl (l) | | -24.048 | ± 0.063 | kJ/mol | 162.35717 ± 0.00090 | 7790-99-0*590 | Dihydrogen anion | [H2]- (g) | 253.8 | 254.7 | ± 1.2 | kJ/mol | 2.01643 ± 0.00014 | 12184-89-3*0 | 1,2-Propadien-1-yl-3-ylidene anion | [CCC]- (g) | 622.6 | 630.0 | ± 1.4 | kJ/mol | 36.0326 ± 0.0024 | 109292-47-9*0 | Hydrogen peroxide cation | [H2O2]+ (g, trans, ortho) | 896.85 | 889.87 | ± 0.57 | kJ/mol | 34.01413 ± 0.00062 | 12325-10-9*11 | Water | H2O (g, para) | -238.928 | -241.831 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*2 | Tetrazete | N4 (g) | 769.6 | 763.6 | ± 2.4 | kJ/mol | 56.02696 ± 0.00028 | 42851-09-2*0 | Hydrogen iodide | HI (aq) | | -56.826 | ± 0.090 | kJ/mol | 127.912410 ± 0.000076 | 10034-85-2*800 | Water | H2O (cr) | -286.298 | -292.738 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*510 | Hydroxymethylene | HCOH (g) | 111.98 | 108.22 | ± 0.41 | kJ/mol | 30.02598 ± 0.00087 | 19710-56-6*0 | Hydrazoic acid | HNNN (aq) | | 272.76 | ± 0.53 | kJ/mol | 43.02816 ± 0.00022 | 7782-79-8*800 | Hydroxylamine | NH2OH (cr,l) | | -107.51 | ± 0.65 | kJ/mol | 33.02996 ± 0.00037 | 7803-49-8*500 | Tricarbon dioxide | OCCCO (cr,l) | -133.0 | -117.9 | ± 1.2 | kJ/mol | 68.0309 ± 0.0025 | 504-64-3*500 | Difluorine cation | [F2]+ (g) | 1514.301 | 1514.475 | ± 0.013 | kJ/mol | 37.9962578 ± 0.0000010 | 12184-86-0*0 | Trioxirane cation | [O(OO)]+ (g) | 1444.4 | 1442.3 | ± 2.3 | kJ/mol | 47.99765 ± 0.00090 | *153851-84-4*0 | Hydroxylamine | NH2OH (g) | -33.13 | -43.49 | ± 0.49 | kJ/mol | 33.02996 ± 0.00037 | 7803-49-8*0 | Oxygen fluoride | OOF2 (g) | 75.6 | 71.3 | ± 7.8 | kJ/mol | 69.99561 ± 0.00060 | 183051-89-0*0 | Carbon monoxide | CO (g, singlet only) | -113.802 | -110.522 | ± 0.026 | kJ/mol | 28.01010 ± 0.00085 | 630-08-0*2 | Fluorine atom | F (g, 2P3/2 only) | 77.288 | 79.072 | ± 0.055 | kJ/mol | 18.99840320 ± 0.00000050 | 14762-94-8*1 | Oxonium | [H3O]+ (g, para) | 605.55 | 598.80 | ± 0.56 | kJ/mol | 19.02267 ± 0.00037 | 13968-08-6*2 | 1,2-Propadien-1-ylium-1-yl-3-ylidene | [CCC]+ (g) | 1954.9 | 1962.0 | ± 2.3 | kJ/mol | 36.0316 ± 0.0024 | 118090-85-0*0 | Iodine atom | I (g, 2P1/2 only) | 198.109 | 197.709 | ± 0.0021 | kJ/mol | 126.904470 ± 0.000030 | 14362-44-8*2 | Ammonium hydroxide | NH4OH (aq, undissoc) | | -366.719 | ± 0.062 | kJ/mol | 35.04584 ± 0.00047 | 1336-21-6*1000 | 1-Butyne | CH3CH2CCH (g) | 178.97 | 165.39 | ± 0.85 | kJ/mol | 54.0904 ± 0.0032 | 107-00-6*0 | Cyclobutene | C4H6 (g) | 173.9 | 156.9 | ± 1.6 | kJ/mol | 54.0904 ± 0.0032 | 822-35-5*0 | Carbon atom | C (g, triplet only) | 711.395 | 716.880 | ± 0.055 | kJ/mol | 12.01070 ± 0.00080 | 7440-44-0*1 | 2-Propanol | CH3CHOHCH3 (g) | -248.73 | -272.83 | ± 0.36 | kJ/mol | 60.0950 ± 0.0025 | 67-63-0*0 | Trihydrogen cation | [H3]+ (g, para) | 1110.304 | 1106.697 | ± 0.013 | kJ/mol | 3.02327 ± 0.00021 | 28132-48-1*2 | (Z)-1,2-Diiodoethene | C2H2I2 (g) | 215.75 | 207.46 | ± 0.45 | kJ/mol | 279.8462 ± 0.0016 | 590-26-1*0 | (E)-1,2-Diiodoethene | C2H2I2 (g) | 214.86 | 207.46 | ± 0.45 | kJ/mol | 279.8462 ± 0.0016 | 590-27-2*0 | 1,3-Cyclopentadiene | C5H6 (g) | 118.3 | 101.3 | ± 2.5 | kJ/mol | 66.1011 ± 0.0040 | 542-92-7*0 | Hydrogen peroxide cation | [H2O2]+ (g, cis, para) | 930.90 | 924.04 | ± 0.94 | kJ/mol | 34.01413 ± 0.00062 | 12325-10-9*22 | Hydrogen peroxide | H2O2 (g, para) | -129.468 | -135.453 | ± 0.063 | kJ/mol | 34.01468 ± 0.00062 | 7722-84-1*2 | Tetrabromomethane | CBr4 (cr, monoclinic) | | 47.8 | ± 1.3 | kJ/mol | 331.6267 ± 0.0041 | 558-13-4*500 | Bromine atom | Br (g, 2P3/2 only) | 117.914 | 111.852 | ± 0.056 | kJ/mol | 79.9040 ± 0.0010 | 10097-32-2*1 | Tetraiodomethane | CI4 (cr, monoclinic) | | 392.5 | ± 8.0 | kJ/mol | 519.62858 ± 0.00081 | 507-25-5*500 | 1,2-Dibromoethane | (CBrH2)2 (cr,l) | | -79.3 | ± 1.3 | kJ/mol | 187.8612 ± 0.0026 | 106-93-4*500 | Krypton hydride cation | [KrH]+ (g) | 1106.49 | 1104.71 | ± 0.70 | kJ/mol | 84.8074 ± 0.1000 | 37276-90-7*0 | Fluorine atom | F (g, 2P1/2 only) | 82.122 | 83.907 | ± 0.055 | kJ/mol | 18.99840320 ± 0.00000050 | 14762-94-8*2 | Cyclopropylium | [CH(CH2CH2)]+ (g) | 1103.3 | 1091.8 | ± 6.0 | kJ/mol | 41.0713 ± 0.0024 | 1724-43-2*0 | Water | H2O (cr, l, eq.press.) | -286.299 | -285.827 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*499 | 2-Hydroxyethylium | [CH2CH2OH]+ (g) | 1019.6 | 1007.5 | ± 1.6 | kJ/mol | 45.0600 ± 0.0017 | 38607-31-7*0 | Hydrazoic acid | HNNN (cr,l) | | 261.70 | ± 0.71 | kJ/mol | 43.02816 ± 0.00022 | 7782-79-8*500 | Cyanogen chloride cation | [ClCN]+ (g) | 1325.83 | 1327.15 | ± 0.96 | kJ/mol | 61.4696 ± 0.0012 | 37612-72-9*0 | Formic acid cation | [HC(O)OH]+ (g, syn-anti equilib) | 721.78 | 715.21 | ± 0.28 | kJ/mol | 46.0248 ± 0.0010 | 50614-05-6*0 | Diamond | C (diamond) | 2.391 | 1.863 | ± 0.044 | kJ/mol | 12.01070 ± 0.00080 | 7440-44-0*501 | Isocyanogen bromide | BrNC (g) | 344.2 | 338.6 | ± 3.7 | kJ/mol | 105.9214 ± 0.0013 | 65997-98-0*0 | Propargylenide | [HCCCH]- (g) | 436.54 | 439.74 | ± 0.98 | kJ/mol | 38.0485 ± 0.0024 | 82906-05-6*0 | Formic acid anion | [HC(O)OH]- (g, syn-anti equilib) | -254.5 | -260.7 | ± 2.2 | kJ/mol | 46.0259 ± 0.0010 | 19066-82-1*0 | Trioxidanyl | HOOO (g, cis) | 26.29 | 23.01 | ± 0.19 | kJ/mol | 49.00614 ± 0.00090 | 12500-78-6*2 | Isocyanogen chloride | ClNC (g) | 314.8 | 316.6 | ± 2.5 | kJ/mol | 61.4701 ± 0.0012 | 75754-69-7*0 | Acetylene anion | [HCCH]- (g) | 359.5 | 359.3 | ± 3.0 | kJ/mol | 26.0378 ± 0.0016 | 50443-89-5*0 | Fluoro(fluorooxy)methylene | FCOF (g) | -135.8 | -137.0 | ± 2.0 | kJ/mol | 66.00691 ± 0.00085 | 479587-30-9*0 | 2-Cyclopropyn-1-ylidene | C(CC) (g) | 905.6 | 912.5 | ± 2.0 | kJ/mol | 36.0321 ± 0.0024 | 102508-15-6*0 | Oxonium | [H3O]+ (g, ortho) | 605.61 | 598.80 | ± 0.56 | kJ/mol | 19.02267 ± 0.00037 | 13968-08-6*1 | cis-Dinitrogen dioxide | ONNO (g, cis) | 172.83 | 171.06 | ± 0.14 | kJ/mol | 60.01228 ± 0.00062 | 57932-56-6*0 | Nitrogen atom anion | N- (g) | 489.2 | 491.5 | ± 4.2 | kJ/mol | 14.007289 ± 0.000070 | 17778-87-9*0 | Iodosyl ion | [IO]+ (g) | 1066.1 | 1064.1 | ± 2.0 | kJ/mol | 142.90332 ± 0.00030 | 81182-81-2*0 | Diazene anion | [HNNH]- (g, trans-cis-iso equilib) | 269.3 | 262.5 | ± 1.7 | kJ/mol | 30.02991 ± 0.00020 | 100429-75-2*0 | Hydroxyformyl | HOCO (g, trans-cis equilib) | -180.95 | -183.53 | ± 0.48 | kJ/mol | 45.0174 ± 0.0010 | 2564-86-5*0 | Phosgene | COCl2 (cr, l, I+liquid) | | -242.61 | ± 0.28 | kJ/mol | 98.9155 ± 0.0020 | 75-44-5*501 | Phosgene | COCl2 (cr, l, II+liquid) | -255.31 | -242.61 | ± 0.28 | kJ/mol | 98.9155 ± 0.0020 | 75-44-5*502 | Bromine atom | Br (g, 2P1/2 only) | 161.998 | 155.936 | ± 0.056 | kJ/mol | 79.9040 ± 0.0010 | 10097-32-2*2 | Hydroxyformyl anion | [HOCO]- (g, trans-cis equilib) | -319.35 | -321.42 | ± 0.58 | kJ/mol | 45.0180 ± 0.0010 | 78944-70-4*0 | Chlorine atom | Cl (g, 2P1/2 only) | 130.177 | 131.783 | ± 0.0021 | kJ/mol | 35.45270 ± 0.00090 | 22537-15-1*2 | Bromoform | CBr3H (l) | | 1.5 | ± 1.3 | kJ/mol | 252.7306 ± 0.0031 | 75-25-2*590 | Diazene anion | [HNNH]- (g, trans-cis equilib) | 269.3 | 262.5 | ± 1.7 | kJ/mol | 30.02991 ± 0.00020 | 100429-75-2*1 | Hydroxymethylene cation | [HCOH]+ (g) | 972.2 | 968.6 | ± 1.6 | kJ/mol | 30.02543 ± 0.00087 | 135395-06-1*0 | Propynylidene | HCCCH (g) | 543.08 | 546.08 | ± 0.67 | kJ/mol | 38.0480 ± 0.0024 | 67152-18-5*0 | Cyanogen | NCCN (cr,l) | 273.93 | 289.18 | ± 0.43 | kJ/mol | 52.0349 ± 0.0016 | 460-19-5*500 | 2-Iodoethanol | ICH2CH2OH (g) | -132.0 | -150.2 | ± 2.5 | kJ/mol | 171.9650 ± 0.0017 | 624-76-0*0 | Oxonium | [H3O]+ (aq) | | -285.825 | ± 0.026 | kJ/mol | 19.02267 ± 0.00037 | 13968-08-6*800 | Methylene | CH2 (g) | 390.96 | 391.52 | ± 0.14 | kJ/mol | 14.02658 ± 0.00081 | 2465-56-7*0 | Hydroxymethylene anion | [HCOH]- (g) | 148.2 | 145.4 | ± 1.8 | kJ/mol | 30.02653 ± 0.00087 | 207914-87-2*0 | Dinitrogen tetraoxide | O2NNO2 (cr,l) | -37.93 | -27.08 | ± 0.19 | kJ/mol | 92.0111 ± 0.0012 | 10544-72-6*500 | Oxoniumyl ion | [H2O]+ (g, para) | 978.725 | 975.574 | ± 0.029 | kJ/mol | 18.01473 ± 0.00033 | 56583-62-1*2 | Trioxodinitrate anion | [ONNO2]- (g) | -103.0 | -106.9 | ± 2.9 | kJ/mol | 76.01223 ± 0.00091 | 194856-62-7*0 | Cyanogen bromide cation | [BrCN]+ (g) | 1330.3 | 1324.0 | ± 1.2 | kJ/mol | 105.9209 ± 0.0013 | 34749-77-4*0 | Isocyanogen anion | [CNCN]- (g, trans-cis equilib) | 383.9 | 388.0 | ± 2.5 | kJ/mol | 52.0354 ± 0.0016 | *83951-85-3*0 | Hydroxyamidogen | HNOH (g) | 101.5 | 94.7 | ± 1.0 | kJ/mol | 32.02202 ± 0.00034 | 13940-32-4*0 | Water | H2O (cr, eq.press.) | -286.299 | -292.740 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*509 | Hydrogen peroxide | H2O2 (g, ortho) | -129.447 | -135.453 | ± 0.063 | kJ/mol | 34.01468 ± 0.00062 | 7722-84-1*1 | Methanediol | CH2(OH)2 (g) | -379.15 | -392.55 | ± 0.96 | kJ/mol | 48.0413 ± 0.0010 | 463-57-0*0 | Dioxygen difluoride cation | [FOOF]+ (g) | 1293.0 | 1289.8 | ± 4.6 | kJ/mol | 69.99506 ± 0.00060 | *7783-44-0*0 | Diisocyanogen cation | [CNNC]+ (g, trans-cis equilib) | 1823.0 | 1826.0 | ± 3.5 | kJ/mol | 52.0343 ± 0.0016 | *78800-21-2*0 | Fluoroform | CF3H (l) | | -704.51 | ± 0.46 | kJ/mol | 70.01385 ± 0.00080 | 75-46-7*590 | Ethylene anion | [C2H4]- (g) | 236.8 | 230.3 | ± 2.2 | kJ/mol | 28.0537 ± 0.0016 | 34527-91-8*0 | Nitrosyl nitrite | ONONO (g) | 91.2 | 86.6 | ± 1.6 | kJ/mol | 76.01168 ± 0.00091 | 122413-35-8*0 | Dioxymethylene | HCOO (g, cis-trans equilib) | 332.1 | 329.9 | ± 5.9 | kJ/mol | 45.0174 ± 0.0010 | 438586-67-5*0 | Hydroperoxonium | [H2OOH]+ (g) | 738.1 | 727.8 | ± 1.0 | kJ/mol | 35.02207 ± 0.00064 | 70850-26-9*0 | Oxygen atom | O (g, triplet only) | 246.844 | 249.229 | ± 0.0021 | kJ/mol | 15.99940 ± 0.00030 | 17778-80-2*1 | Diazene cation | [HNNH]+ (g, trans-cis equilib) | 1132.60 | 1125.69 | ± 0.74 | kJ/mol | 30.02881 ± 0.00020 | 76986-17-9*1 | Hydrogen peroxide | H2O2 (aq) | | -190.75 | ± 0.30 | kJ/mol | 34.01468 ± 0.00062 | 7722-84-1*800 | Methylene fluoride | CH2F2 (l) | | -467.26 | ± 0.40 | kJ/mol | 52.02339 ± 0.00081 | 75-10-5*590 | Vinyl alcohol | CH2CHOH (g, syn-anti equilib) | -112.59 | -122.96 | ± 0.87 | kJ/mol | 44.0526 ± 0.0017 | 557-75-5*0 | Hydrogen nitroxylate | [HONO]- (g) | -107.8 | -111.3 | ± 2.0 | kJ/mol | 47.01403 ± 0.00061 | 24388-53-2*0 | Carbon monoxide | CO (g, triplet only) | 465.580 | 469.287 | ± 0.026 | kJ/mol | 28.01010 ± 0.00085 | 630-08-0*1 | Nitrosyl nitrite anion | [ONONO]- (g) | -100.8 | -104.0 | ± 4.4 | kJ/mol | 76.01223 ± 0.00091 | *122413-35-8*0 | Ethylidyne | CH3C (g, doublet) | 510.3 | 506.3 | ± 1.1 | kJ/mol | 27.0452 ± 0.0016 | 67624-57-1*1 | Vinyl alcohol cation | [CH2CHOH]+ (g, anti-syn equilib) | 779.1 | 768.3 | ± 1.2 | kJ/mol | 44.0520 ± 0.0017 | 57239-63-1*0 | Methylidyne | CH (g, doublet) | 592.83 | 596.16 | ± 0.13 | kJ/mol | 13.01864 ± 0.00080 | 3315-37-5*1 | Oxirene | O(CHCH) (g) | 276.6 | 276.0 | ± 3.1 | kJ/mol | 42.0367 ± 0.0016 | 157-18-6*0 | Hydroxyaminylium | [HNOH]+ (g) | 1020.2 | 1013.0 | ± 2.0 | kJ/mol | 32.02147 ± 0.00034 | 66097-71-0*0 | Propynylidene | HCCCH (g, singlet) | 597.8 | 599.6 | ± 1.5 | kJ/mol | 38.0480 ± 0.0024 | 67152-18-5*2 | Diiodine cation | [I2]+ (g) | 963.523 | 960.408 | ± 0.018 | kJ/mol | 253.808391 ± 0.000060 | 28712-14-3*0 | Diazene cation | [HNNH]+ (g, trans-iso-cis equilib) | 1132.60 | 1125.93 | ± 0.74 | kJ/mol | 30.02881 ± 0.00020 | 76986-17-9*0 | Imidogen | NH (g, triplet only) | 358.75 | 358.79 | ± 0.17 | kJ/mol | 15.014680 ± 0.000099 | 13774-92-0*1 | Trioxidaniumyl | [HOOOH]+ (g) | 927.1 | 918.2 | ± 1.4 | kJ/mol | 50.01353 ± 0.00091 | 161321-37-5*0 | Diazene | HNNH (g, trans-cis-iso equilib) | 207.36 | 200.22 | ± 0.56 | kJ/mol | 30.02936 ± 0.00020 | 3618-05-1*0 | Hydrogen peroxide cation | [H2O2]+ (g, cis, ortho) | 930.92 | 924.04 | ± 0.94 | kJ/mol | 34.01413 ± 0.00062 | 12325-10-9*21 | Oxirene | O(CHCH) (g, triplet) | 390.0 | 386.6 | ± 2.8 | kJ/mol | 42.0367 ± 0.0016 | 157-18-6*1 | 2-Hydroxyethyl | CH2CH2OH (g) | -12.75 | -26.01 | ± 0.61 | kJ/mol | 45.0605 ± 0.0017 | 4422-54-2*0 | Hydrogen peroxide cation | [H2O2]+ (g, trans, para) | 896.88 | 889.87 | ± 0.57 | kJ/mol | 34.01413 ± 0.00062 | 12325-10-9*12 | COC vdW | (CO)(C) (g) | 589.1 | 597.8 | ± 1.8 | kJ/mol | 40.0208 ± 0.0016 | *12071-24-8*0 | Iminomethyl | HCNH (g, trans-cis equilib) | 276.2 | 272.6 | ± 1.4 | kJ/mol | 28.03332 ± 0.00082 | 15691-95-9*0 | Cyclohexane | C6H12 (g) | -82.51 | -122.07 | ± 0.68 | kJ/mol | 84.1595 ± 0.0049 | 110-82-7*0 | Imidogen | NH (g, singlet) | 509.34 | 509.39 | ± 0.18 | kJ/mol | 15.014680 ± 0.000099 | 13774-92-0*2 | Heptane | C7H16 (g) | -145.47 | -187.34 | ± 0.74 | kJ/mol | 100.2019 ± 0.0057 | 142-82-5*0 | Dichlorine cation | [Cl2]+ (g) | 1107.90 | 1107.87 | ± 0.22 | kJ/mol | 70.9049 ± 0.0018 | 12595-90-3*0 | Octane | C8H18 (g) | -161.40 | -208.23 | ± 0.79 | kJ/mol | 114.2285 ± 0.0065 | 111-65-9*0 | Hydroperoxonium | [H2OOH]+ (g, cis) | 762.5 | 752.6 | ± 1.9 | kJ/mol | 35.02207 ± 0.00064 | 70850-26-9*2 | 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 | Diazene | HNNH (g, trans-cis equilib) | 207.36 | 200.22 | ± 0.56 | kJ/mol | 30.02936 ± 0.00020 | 3618-05-1*1 | Dinitrogen anion | [N2]- (g) | 196.0 | 196.0 | ± 2.2 | kJ/mol | 28.01403 ± 0.00014 | 12185-02-3*0 | Ethyl chloride | CH3CH2Cl (cr,l) | -134.07 | -135.69 | ± 0.22 | kJ/mol | 64.5138 ± 0.0019 | 75-00-3*500 | Cyanogen fluoride cation | [FCN]+ (g) | 1294.0 | 1294.7 | ± 1.2 | kJ/mol | 45.01529 ± 0.00080 | 62532-69-8*0 | Methyl iodide cation | [CH3I]+ (g) | 944.75 | 935.35 | ± 0.17 | kJ/mol | 141.93844 ± 0.00083 | 12538-72-6*0 | Water | H2O (g, ortho) | -238.643 | -241.831 | ± 0.026 | kJ/mol | 18.01528 ± 0.00033 | 7732-18-5*1 | Isocyanogen fluoride | FNC (g) | 299.6 | 301.4 | ± 2.3 | kJ/mol | 45.01584 ± 0.00080 | 16992-26-0*0 | Iodine monochloride | ICl (cr,l) | -36.511 | -35.537 | ± 0.063 | kJ/mol | 162.35717 ± 0.00090 | 7790-99-0*500 | Dioxygen | O2 (g, triplet only) | 0.000 | 0.000 | ± 0.000 | kJ/mol | 31.99880 ± 0.00060 | 7782-44-7*1 | Succinic acid | (CH2COOH)2 (g) | -795.62 | -817.76 | ± 0.61 | kJ/mol | 118.0880 ± 0.0034 | 110-15-6*0 | Allyl anion | [CH2CHCH2]- (g) | 133.40 | 123.65 | ± 0.92 | kJ/mol | 41.0723 ± 0.0024 | 1724-46-5*0 | Trihydrogen cation | [H3]+ (g, ortho) | 1110.577 | 1106.695 | ± 0.013 | kJ/mol | 3.02327 ± 0.00021 | 28132-48-1*1 | Hydrogen difluoride cation | [FHF]+ (g) | 1255. | 1251. | ± 20. | kJ/mol | 39.004198 ± 0.000070 | 126950-54-7*0 | Iminomethyl anion | [HCNH]- (g) | 239.0 | 235.3 | ± 2.0 | kJ/mol | 28.03387 ± 0.00082 | 90623-30-6*0 | Trioxidane | HOOOH (g) | -81.40 | -90.00 | ± 0.78 | kJ/mol | 50.01408 ± 0.00091 | 14699-99-1*0 | 3-Chloro-3-methyl-3H-diazirine | (NNC)ClCH3 (g) | 230. | 218. | ± 40. | kJ/mol | 90.5114 ± 0.0019 | 4222-21-3*0 | Methyl fluoride cation | [CH3F]+ (g) | 981.09 | 973.58 | ± 0.64 | kJ/mol | 34.03237 ± 0.00083 | 59122-96-2*0 | Methyl fluoride | CH3F (l) | | -246.47 | ± 0.48 | kJ/mol | 34.03292 ± 0.00083 | 593-53-3*590 | Ethylidene | CH3CH (g) | 361.5 | 354.5 | ± 1.2 | kJ/mol | 28.0532 ± 0.0016 | 4218-50-2*0 | Methyl chloride cation | [CH3Cl]+ (g) | 1013.80 | 1006.35 | ± 0.41 | kJ/mol | 50.4867 ± 0.0012 | 12538-71-5*0 | C=O-C cation | [COC]+ (g) | 1575.9 | 1583.0 | ± 2.3 | kJ/mol | 40.0203 ± 0.0016 | 83483-98-1*0 | Methyl chloride | CH3Cl (l) | -106.54 | -102.57 | ± 0.21 | kJ/mol | 50.4872 ± 0.0012 | 74-87-3*590 | 1,1-Dibromoethane | CHBr2CH3 (cr,l) | | -66.3 | ± 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 | Hydrogen peroxide cation | [H2O2]+ (g) | 896.85 | 889.87 | ± 0.57 | kJ/mol | 34.01413 ± 0.00062 | 12325-10-9*0 | Methyl bromide cation | [CH3Br]+ (g) | 996.11 | 981.19 | ± 0.19 | kJ/mol | 94.9380 ± 0.0013 | 12538-70-4*0 | Helium cation | He+ (g) | 2372.322 | 2372.322 | ± 0.000 | kJ/mol | 4.0020534 ± 0.0000020 | 14234-48-1*0 | Helium dication | [He]+2 (g) | 7622.839 | 7622.839 | ± 0.000 | kJ/mol | 4.0015048 ± 0.0000020 | 12587-46-1*0 | 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 | 39.9475 ± 0.0010 | 14791-69-6*0 | Krypton cation | Kr+ (g) | 1350.759 | 1350.759 | ± 0.0011 | kJ/mol | 83.7995 ± 0.1000 | 16915-28-9*0 |
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References
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1
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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]
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2
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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]
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3
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B. Ruscic, Active Thermochemical Tables (ATcT) values based on ver. 1.118 of the Thermochemical Network (2015); available at ATcT.anl.gov |
4
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B. Ruscic,
Active Thermochemical Tables: Dissociation Energies of Several Homonuclear First-Row Diatomics and Related Thermochemical Values.
Theor. Chem. Acc. 133, 1415/1-12 (2005)
[DOI: 10.1007/s00214-013-1415-z]
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5
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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 in preparation (2016)
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6
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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]
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Formula
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The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.
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Uncertainties
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The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [6]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
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Search Functionality Credits
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The search functionality and the related reorganization of the website was developed and implemented by David H. Bross (ANL).
The find function is based on the Species Dictionary entries for the appropriate version of the ATcT TN.
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Acknowledgement
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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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Page generated: 04/01/2025
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