ATcT [1, 2] enthalpies of formation based on version 1.122q of the Thermochemical Network [3]

Below is a list of 0 K and 298.15 K enthalpies of formation for all 1790 species included in version This version of ATcT results was generated from an expansion of version 1.122p [4] to include an updated enthalpy of formation for oxalic acid. [5] and additional high-level computations on methyl peroxy radical [6].

The elements in their standard states are listed first; the listing order of the other species follows the actual order from the ATcT solution file, which roughly reflects the number of thermochemically-relevant determinations that include the species in question (highest first). The intent is to convey a very approximate indication of the robustness of the listed values, which is generally higher toward the top of the list and lower toward the bottom.

For species other than elements in their standard states, the Species Name acts as a link to the page itemizing the most important contributors to the provenance of its ATcT enthalpy of formation, other highly correlated chemical species, and high-leverage reactions in the Thermochemical Network.
(Please note that, as opposed to traditional sequential thermochemistry where the provenance of a given enthalpy of formation is typically a single measurement, the provenances of ATcT enthalpies of formation, which are obtained by analysing and solving a large Thermochemical Network, are normally quite distributed.)

If you find Active Thermochemical Tables useful in your research, please cite this website as given in Ref. [3], and, if possible, the ATcT approach as given in Refs. [1] and [2].



          
          
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The stoichiometry represents fractions as decimals,
e.g. 0.5 O2, 1 H2, 1 H2O would represent
1/2 O2 + H2 → H2O
Reactant Reactant Reactant Reactant Reactant Reactant Reactant Reactant
Product Product Product Product Product Product Product Product


Species Name Preferred Formula Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
Molecular
Mass
ATcT ID
Dihydrogen [H][H]00exact2.01588 ±
0.00014
1333-74-0*0
Helium [He]00exact4.0026020 ±
0.0000020
7440-59-7*0
Carbon atom [C]00exact12.01070 ±
0.00080
7440-44-0*500
Dinitrogen N#N00exact28.01348 ±
0.00014
7727-37-9*0
Dioxygen O=O00exact31.99880 ±
0.00060
7782-44-7*0
Difluorine FF00exact37.9968064 ±
0.0000010
7782-41-4*0
Neon [Ne]00exact20.17970 ±
0.00060
7440-01-9*0
Silicon [Si]00exact28.08550 ±
0.00030
7440-21-3*500
Dichlorine ClCl00exact70.9054 ±
0.0018
7782-50-5*0
Argon [Ar]00exact39.94800 ±
0.00100
7440-37-1*0
Dibromine BrBr00exact159.8080 ±
0.0020
7726-95-6*500
Krypton [Kr]00exact83.8000 ±
0.1000
7439-90-9*0
Diiodine II00exact253.808940 ±
0.000060
7553-56-2*500
Xenon [Xe]00exact131.2900 ±
0.0200
7440-63-3*0
Deuterium molecule [2H][2H]00exact4.02820355600 ±
0.00000000080
7782-39-0*0
Hydrogen atom [H]216.034217.998± 0.000kJ/mol1.007940 ±
0.000070
12385-13-6*0
Carbon atom [C]711.397716.882± 0.047kJ/mol12.01070 ±
0.00080
7440-44-0*0
Oxygen atom [O]246.844249.229± 0.0021kJ/mol15.99940 ±
0.00030
17778-80-2*0
Nitrogen atom [N]470.579472.442± 0.024kJ/mol14.006740 ±
0.000070
17778-88-0*0
Carbon dioxide C(=O)=O-393.108-393.474± 0.015kJ/mol44.00950 ±
0.00100
124-38-9*0
Methane C-66.560-74.529± 0.050kJ/mol16.04246 ±
0.00085
74-82-8*0
Chlorine atom [Cl]119.621121.302± 0.0011kJ/mol35.45270 ±
0.00090
22537-15-1*0
Ethane CC-68.39-84.02± 0.13kJ/mol30.0690 ±
0.0017
74-84-0*0
Fluorine atom [F]77.26279.368± 0.048kJ/mol18.99840320 ±
0.00000050
14762-94-8*0
Water O-286.302-285.830± 0.026kJ/mol18.01528 ±
0.00033
7732-18-5*500
Water O-238.932-241.835± 0.026kJ/mol18.01528 ±
0.00033
7732-18-5*0
Hydron [H+]1528.0841530.047± 0.000kJ/mol1.007391 ±
0.000070
12408-02-5*0
Ethylene C=C60.8452.33± 0.12kJ/mol28.0532 ±
0.0016
74-85-1*0
Bromine atom [Br]117.917111.855± 0.056kJ/mol79.90400 ±
0.00100
10097-32-2*0
Methyl [CH3]149.864146.449± 0.056kJ/mol15.03452 ±
0.00083
2229-07-4*0
Methanol CO-190.06-200.95± 0.16kJ/mol32.04186 ±
0.00090
67-56-1*0
Propane CCC-82.80-105.08± 0.18kJ/mol44.0956 ±
0.0025
74-98-6*0
Hydroxyl [OH]37.24937.488± 0.026kJ/mol17.00734 ±
0.00031
3352-57-6*0
Hydrogen chloride Cl-91.989-92.173± 0.0062kJ/mol36.46064 ±
0.00090
7647-01-0*0
Carbon monoxide [C-]#[O+]-113.803-110.523± 0.026kJ/mol28.01010 ±
0.00085
630-08-0*0
Formaldehyde C=O-105.378-109.217± 0.097kJ/mol30.02598 ±
0.00087
50-00-0*0
Ethanol CCO-217.32-235.04± 0.22kJ/mol46.0684 ±
0.0017
64-17-5*0
Hydrogen fluoride F-272.670-272.717± 0.048kJ/mol20.006343 ±
0.000070
7664-39-3*0
Acetylene C#C228.82228.26± 0.13kJ/mol26.0373 ±
0.0016
74-86-2*0
Hydrogen bromide Br-27.66-35.51± 0.15kJ/mol80.9119 ±
0.0010
10035-10-6*0
Ammonia N-38.565-45.558± 0.029kJ/mol17.03056 ±
0.00022
7664-41-7*0
Iodine [I]107.157106.757± 0.0021kJ/mol126.904470 ±
0.000030
14362-44-8*0
Ethyl C[CH2]131.02119.95± 0.26kJ/mol29.0611 ±
0.0016
2025-56-1*0
Hydrogen cyanide C#N129.660129.276± 0.090kJ/mol27.02538 ±
0.00081
74-90-8*0
Nitric oxide [N]=O90.61991.123± 0.065kJ/mol30.00614 ±
0.00031
10102-43-9*0
Chloromethane CCl-74.32-82.25± 0.25kJ/mol50.4872 ±
0.0012
74-87-3*0
Propene CC=C34.8919.89± 0.20kJ/mol42.0797 ±
0.0024
115-07-1*0
Nitrogen dioxide O=[N]=O36.85934.052± 0.065kJ/mol46.00554 ±
0.00060
10102-44-0*0
Hydrogen iodide I28.64626.470± 0.036kJ/mol127.912410 ±
0.000076
10034-85-2*0
Benzene c1ccccc1100.6183.10± 0.23kJ/mol78.1118 ±
0.0048
71-43-2*0
Hydroxyde [OH-]-139.093-139.059± 0.026kJ/mol17.00789 ±
0.00031
14280-30-9*0
Dioxidanyl O[O]15.1212.22± 0.15kJ/mol33.00674 ±
0.00060
3170-83-0*0
Acetaldehyde CC=O-155.08-165.56± 0.25kJ/mol44.0526 ±
0.0017
75-07-0*0
Fluoromethane CF-227.45-235.48± 0.23kJ/mol34.03292 ±
0.00083
593-53-3*0
Hydrogen peroxide OO-129.479-135.465± 0.063kJ/mol34.01468 ±
0.00062
7722-84-1*0
Propyne CC#C192.74185.68± 0.23kJ/mol40.0639 ±
0.0024
74-99-7*0
Bromomethane CBr-20.27-35.67± 0.26kJ/mol94.9385 ±
0.0013
74-83-9*0
n-Butane CCCC-98.47-125.78± 0.25kJ/mol58.1222 ±
0.0033
106-97-8*0
Methylene [CH2]428.72429.13± 0.11kJ/mol14.02658 ±
0.00081
2465-56-7*2
Formic acid C(=O)O-371.11-378.43± 0.22kJ/mol46.0254 ±
0.0010
64-18-6*1
Methylene [CH2]391.060391.617± 0.097kJ/mol14.02658 ±
0.00081
2465-56-7*1
Hypochlorous acid OCl-73.869-76.808± 0.027kJ/mol52.46004 ±
0.00095
7790-92-3*0
Tetrafluoromethane C(F)(F)(F)F-927.49-933.46± 0.25kJ/mol88.00431 ±
0.00080
75-73-0*0
Vinyl C=[CH]301.16296.96± 0.32kJ/mol27.0452 ±
0.0016
2669-89-8*0
Dibromine BrBr45.6830.89± 0.12kJ/mol159.8080 ±
0.0020
7726-95-6*0
Acetone CC(=O)C-200.11-216.80± 0.36kJ/mol58.0791 ±
0.0025
67-64-1*0
Tetrachloromethane C(Cl)(Cl)(Cl)Cl-93.42-95.59± 0.43kJ/mol153.8215 ±
0.0037
56-23-5*0
Methylamine CN-6.62-21.33± 0.26kJ/mol31.05714 ±
0.00088
74-89-5*0
Fluoride [F-]-250.903-249.118± 0.048kJ/mol18.99895178 ±
0.00000050
16984-48-8*0
Ketene C=C=O-45.35-48.47± 0.11kJ/mol42.0367 ±
0.0016
463-51-4*0
Chloroethane CCCl-96.90-111.48± 0.26kJ/mol64.5138 ±
0.0019
75-00-3*0
Phenyl c1cccc[c]1350.41337.05± 0.52kJ/mol77.1039 ±
0.0048
2396-01-2*0
Allene C=C=C197.30189.82± 0.25kJ/mol40.0639 ±
0.0024
463-49-0*0
Methylidyne [CH]592.820596.154± 0.098kJ/mol13.01864 ±
0.00080
3315-37-5*0
Methoxide C[O-]-122.63-130.36± 0.28kJ/mol31.03447 ±
0.00088
3315-60-4*0
Nitrilomethyl [C]#N436.75440.04± 0.14kJ/mol26.01744 ±
0.00080
2074-87-5*0
Acetonitrile CC#N81.1074.04± 0.25kJ/mol41.0520 ±
0.0016
75-05-8*0
1,3-Butadiene C=CC=C125.29110.81± 0.34kJ/mol54.0904 ±
0.0032
106-99-0*0
Oxonium [OH3+]605.85599.10± 0.17kJ/mol19.02267 ±
0.00037
13968-08-6*0
Diiodine II65.49762.417± 0.0041kJ/mol253.808940 ±
0.000060
7553-56-2*0
Methoxy C[O]28.7621.39± 0.28kJ/mol31.03392 ±
0.00088
2143-68-2*0
Acetic acid CC(=O)O-418.86-432.98± 0.42kJ/mol60.0520 ±
0.0017
64-19-7*1
Ozone O=[O+][O-]144.397141.735± 0.039kJ/mol47.99820 ±
0.00090
10028-15-6*0
Toluene c1ccc(cc1)C73.2950.00± 0.34kJ/mol92.1384 ±
0.0056
108-88-3*0
Fluoroform C(F)(F)F-689.04-695.99± 0.41kJ/mol70.01385 ±
0.00080
75-46-7*0
Trifluoromethyl [C](F)(F)F-464.95-467.74± 0.48kJ/mol69.00591 ±
0.00080
2264-21-3*0
Ethylium [CH2+]1[CH2][H]1914.92902.85± 0.30kJ/mol29.0606 ±
0.0016
14936-94-8*0
Phenol c1ccc(cc1)O-74.80-93.39± 0.63kJ/mol94.1112 ±
0.0048
108-95-2*0
Hydroxymethyl [CH2]O-10.49-16.80± 0.28kJ/mol31.03392 ±
0.00088
2597-43-5*0
Chloride [Cl-]-228.953-227.346± 0.0021kJ/mol35.45325 ±
0.00090
16887-00-6*0
Bromide [Br-]-206.620-212.682± 0.056kJ/mol79.90455 ±
0.00100
24959-67-9*0
Hypobromous acid OBr-51.53-62.01± 0.47kJ/mol96.9113 ±
0.0010
13517-11-8*0
Formyl [CH]=O41.39241.768± 0.097kJ/mol29.01804 ±
0.00086
2597-44-6*0
iso-Butane CC(C)C-106.02-134.63± 0.30kJ/mol58.1222 ±
0.0033
75-28-5*0
Chlorooxidanyl Cl=O101.125101.716± 0.035kJ/mol51.45210 ±
0.00095
14989-30-1*0
Oxomethylium [CH+]=O827.768827.183± 0.097kJ/mol29.01749 ±
0.00086
17030-74-9*0
Methyl hydroperoxide COO-115.17-127.99± 0.50kJ/mol48.0413 ±
0.0010
3031-73-0*0
Imidogen [NH]358.74358.78± 0.16kJ/mol15.014680 ±
0.000099
13774-92-0*0
Propargyl [CH2]C#C353.97351.37± 0.35kJ/mol39.0559 ±
0.0024
2932-78-7*0
Dioxymethyl [O-]\[O+]=C111.84104.84± 0.62kJ/mol46.0254 ±
0.0010
56077-92-0*0
Difluorophosgene C(F)(F)=O-603.34-606.44± 0.41kJ/mol66.00691 ±
0.00085
353-50-4*0
Formamide NC=O-178.54-188.90± 0.36kJ/mol45.04066 ±
0.00088
75-12-7*0
Cyanoacetylene C#CC#N372.00373.74± 0.64kJ/mol51.0468 ±
0.0024
1070-71-9*0
Nitric acid O[N+](=O)[O-]-124.49-134.20± 0.18kJ/mol63.01288 ±
0.00091
7697-37-2*0
Amidogen [NH2]188.91186.02± 0.11kJ/mol16.02262 ±
0.00016
13770-40-6*0
Allyl C=C[CH2]179.97168.25± 0.44kJ/mol41.0718 ±
0.0024
1981-80-2*0
Ethenol C=CO-113.12-124.30± 0.52kJ/mol44.0526 ±
0.0017
557-75-5*1
Vinyl chloride C=CCl29.2721.69± 0.30kJ/mol62.4979 ±
0.0018
75-01-4*0
Methylium [CH3+]1099.3361095.393± 0.051kJ/mol15.03397 ±
0.00083
14531-53-4*0
Iodide [I-]-187.995-188.396± 0.0021kJ/mol126.905019 ±
0.000030
20461-54-5*0
Cyanogen chloride ClC#N134.97135.66± 0.46kJ/mol61.4701 ±
0.0012
506-77-4*0
Methylperoxy CO[O]22.0512.60± 0.37kJ/mol47.0333 ±
0.0010
2143-58-0*0
Hydroxyformyl O[C]=O-181.13-184.09± 0.44kJ/mol45.0174 ±
0.0010
2564-86-5*1
Isocyanic acid N=C=O-115.98-118.97± 0.30kJ/mol43.02478 ±
0.00086
75-13-8*0
Hypofluorous acid OF-84.39-87.29± 0.19kJ/mol36.00574 ±
0.00031
14034-79-8*0
Hydrogen chloride Cl-166.452± 0.024kJ/mol36.46064 ±
0.00090
7647-01-0*834
Ethoxide CC[O-]-163.87-178.81± 0.48kJ/mol45.0610 ±
0.0017
16331-64-9*0
Dichloromethane C(Cl)Cl-86.54-93.40± 0.52kJ/mol84.9320 ±
0.0020
75-09-2*0
Chlorobenzene c1ccc(cc1)Cl67.1452.18± 0.61kJ/mol112.5566 ±
0.0049
108-90-7*0
Cyanogen bromide BrC#N187.0180.5± 1.1kJ/mol105.9214 ±
0.0013
506-68-3*0
Iodomethane CI24.5114.97± 0.18kJ/mol141.93899 ±
0.00083
74-88-4*0
Trihydrogen cation [H]1[H+][H]11110.3041106.696± 0.013kJ/mol3.02327 ±
0.00021
28132-48-1*0
Oxygen atom anion [O-]105.868108.097± 0.0021kJ/mol15.99995 ±
0.00030
14337-01-0*0
n-Propyl CC[CH2]118.21100.81± 0.52kJ/mol43.0877 ±
0.0024
2143-61-5*0
Acetyl C[C]=O-3.60-10.26± 0.33kJ/mol43.0446 ±
0.0016
3170-69-2*0
iso-Propyl C[CH]C105.1988.31± 0.50kJ/mol43.0877 ±
0.0024
2025-55-0*0
2-Hydroxyethyl [CH2]CO-13.35-26.62± 0.56kJ/mol45.0605 ±
0.0017
4422-54-2*1
Tetrabromomethane C(Br)(Br)(Br)Br133.5103.8± 1.3kJ/mol331.6267 ±
0.0041
558-13-4*0
Difluoromethane C(F)F-443.14-450.75± 0.33kJ/mol52.02339 ±
0.00081
75-10-5*0
Oxygen difluoride FOF26.8224.57± 0.24kJ/mol53.99621 ±
0.00030
7783-41-7*0
Hypochlorite [Cl-]=O-118.60-118.33± 0.13kJ/mol51.45265 ±
0.00095
14380-61-1*0