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

Below is a list of 0 K and 298.15 K enthalpies of formation for all 1199 species included in version 1.122 (as of 09/05/2016).
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, 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.)



          
          
(case insensitive)
or
(case sensitive)
          
   Website functionality credits
The reaction search accepts only the preferred formula, as specified in this version of the Thermochemical Network.
For help finding the current preferred formula of a species, please refer to the species name or species formula searches above.
For convenience clicking the preferred formula adds it to the species list for reaction searches.
The stoichiometry represents fractions as decimals,
e.g. 0.5 O2, 1 H2, 1 H2O would represent
1/2 O2 + H2 → H2O

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
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]711.401716.886± 0.050kJ/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]470.577472.440± 0.024kJ/mol14.006740 ±
0.000070
17778-88-0*0
Carbon dioxide C(=O)=O-393.109-393.475± 0.015kJ/mol44.00950 ±
0.00100
124-38-9*0
Fluorine atom [F]77.26379.369± 0.048kJ/mol18.99840320 ±
0.00000050
14762-94-8*0
Methane C-66.550-74.520± 0.057kJ/mol16.04246 ±
0.00085
74-82-8*0
Water O-286.300-285.828± 0.027kJ/mol18.01528 ±
0.00033
7732-18-5*500
Water O-238.931-241.834± 0.027kJ/mol18.01528 ±
0.00033
7732-18-5*0
Chlorine atom [Cl]119.621121.302± 0.0011kJ/mol35.45270 ±
0.00090
22537-15-1*0
Bromine atom [Br]117.917111.854± 0.056kJ/mol79.90400 ±
0.00100
10097-32-2*0
Ethane CC-68.29-83.91± 0.14kJ/mol30.0690 ±
0.0017
74-84-0*0
Hydron [H+]1528.0841530.047± 0.000kJ/mol1.007391 ±
0.000070
12408-02-5*0
Hydroxyl [OH]37.25037.490± 0.027kJ/mol17.00734 ±
0.00031
3352-57-6*0
Ethylene C=C60.9652.45± 0.13kJ/mol28.0532 ±
0.0016
74-85-1*0
Carbon monoxide [C-]#[O+]-113.803-110.523± 0.026kJ/mol28.01010 ±
0.00085
630-08-0*0
Hydrogen chloride Cl-91.989-92.173± 0.0062kJ/mol36.46064 ±
0.00090
7647-01-0*0
Methyl [CH3]149.788146.374± 0.080kJ/mol15.03452 ±
0.00083
2229-07-4*0
Hydrogen bromide Br-27.81-35.66± 0.16kJ/mol80.9119 ±
0.0010
10035-10-6*0
Methanol CO-189.83-200.71± 0.16kJ/mol32.04186 ±
0.00090
67-56-1*0
Hydrogen fluoride F-272.668-272.715± 0.049kJ/mol20.006343 ±
0.000070
7664-39-3*0
Iodine atom [I]107.157106.757± 0.0021kJ/mol126.904470 ±
0.000030
14362-44-8*0
Formaldehyde C=O-105.349-109.188± 0.099kJ/mol30.02598 ±
0.00087
50-00-0*0
Acetylene C#C228.84228.28± 0.14kJ/mol26.0373 ±
0.0016
74-86-2*0
Nitric oxide [N]=O90.61791.121± 0.065kJ/mol30.00614 ±
0.00031
10102-43-9*0
Ethanol CCO-216.89-234.61± 0.21kJ/mol46.0684 ±
0.0017
64-17-5*0
Methyl chloride CCl-74.25-82.18± 0.25kJ/mol50.4872 ±
0.0012
74-87-3*0
Ethyl C[CH2]130.92119.86± 0.28kJ/mol29.0611 ±
0.0016
2025-56-1*0
Propane CCC-82.75-105.03± 0.19kJ/mol44.0956 ±
0.0025
74-98-6*0
Nitrogen dioxide O=[N]=O36.85634.049± 0.065kJ/mol46.00554 ±
0.00060
10102-44-0*0
Ammonia N-38.562-45.554± 0.030kJ/mol17.03056 ±
0.00022
7664-41-7*0
Hydrogen cyanide C#N129.662129.277± 0.091kJ/mol27.02538 ±
0.00081
74-90-8*0
Hydrogen iodide I28.64126.466± 0.036kJ/mol127.912410 ±
0.000076
10034-85-2*0
Methyl fluoride CF-227.77-235.80± 0.23kJ/mol34.03292 ±
0.00083
593-53-3*0
Methyl bromide CBr-20.36-35.76± 0.27kJ/mol94.9385 ±
0.0013
74-83-9*0
Hydrogen peroxide OO-129.472-135.457± 0.064kJ/mol34.01468 ±
0.00062
7722-84-1*0
Hydroxyde [OH-]-139.091-139.058± 0.027kJ/mol17.00789 ±
0.00031
14280-30-9*0
Dioxidanyl O[O]15.1612.26± 0.16kJ/mol33.00674 ±
0.00060
3170-83-0*0
Propylene CC=C35.0019.99± 0.22kJ/mol42.0797 ±
0.0024
115-07-1*0
Tetrafluoromethane C(F)(F)(F)F-927.41-933.39± 0.25kJ/mol88.00431 ±
0.00080
75-73-0*0
Fluoride [F-]-250.901-249.117± 0.048kJ/mol18.99895178 ±
0.00000050
16984-48-8*0
Hypochlorous acid OCl-73.867-76.807± 0.028kJ/mol52.46004 ±
0.00095
7790-92-3*0
Acetaldehyde CC=O-154.97-165.45± 0.28kJ/mol44.0526 ±
0.0017
75-07-0*0
Benzene c1ccccc1100.6283.11± 0.25kJ/mol78.1118 ±
0.0048
71-43-2*0
Dibromine BrBr45.6830.89± 0.11kJ/mol159.8080 ±
0.0020
7726-95-6*0
Diiodine II65.49762.417± 0.0041kJ/mol253.808940 ±
0.000060
7553-56-2*0
Methylidyne [CH]592.78596.12± 0.11kJ/mol13.01864 ±
0.00080
3315-37-5*0
Formic acid C(=O)O-371.12-378.45± 0.22kJ/mol46.0254 ±
0.0010
64-18-6*1
Fluoroform C(F)(F)F-688.92-695.87± 0.43kJ/mol70.01385 ±
0.00080
75-46-7*0
Oxonium [OH3+]605.85599.10± 0.17kJ/mol19.02267 ±
0.00037
13968-08-6*0
Hypoflorous acid OF-84.37-87.27± 0.19kJ/mol36.00574 ±
0.00031
14034-79-8*0
Hypobromous acid OBr-51.38-61.85± 0.57kJ/mol96.9113 ±
0.0010
13517-11-8*0
Methyl iodide CI24.4814.94± 0.17kJ/mol141.93899 ±
0.00083
74-88-4*0
Trifluoromethyl [C](F)(F)F-465.15-467.94± 0.49kJ/mol69.00591 ±
0.00080
2264-21-3*0
Propyne CC#C192.80185.74± 0.25kJ/mol40.0639 ±
0.0024
74-99-7*0
Methylene [CH2]390.96391.52± 0.12kJ/mol14.02658 ±
0.00081
2465-56-7*1
Methylene [CH2]428.62429.03± 0.13kJ/mol14.02658 ±
0.00081
2465-56-7*2
Vinyl C=[CH]301.11296.91± 0.33kJ/mol27.0452 ±
0.0016
2669-89-8*0
Ketene C=C=O-45.45-48.57± 0.13kJ/mol42.0367 ±
0.0016
463-51-4*0
Tetrachloromethane C(Cl)(Cl)(Cl)Cl-94.27-96.44± 0.64kJ/mol153.8215 ±
0.0037
56-23-5*0
Imidogen [NH]358.73358.77± 0.17kJ/mol15.014680 ±
0.000099
13774-92-0*0
Allene C=C=C197.34189.86± 0.26kJ/mol40.0639 ±
0.0024
463-49-0*0
n-Butane CCCC-98.63-125.94± 0.27kJ/mol58.1222 ±
0.0033
106-97-8*0
Difluorophosgene C(F)(F)=O-603.50-606.59± 0.46kJ/mol66.00691 ±
0.00085
353-50-4*0
Bromide [Br-]-206.620-212.683± 0.056kJ/mol79.90455 ±
0.00100
24959-67-9*0
Oxomethylium [CH+]=O827.802827.217± 0.099kJ/mol29.01749 ±
0.00086
17030-74-9*0
Iodide [I-]-187.995-188.396± 0.0021kJ/mol126.905019 ±
0.000030
20461-54-5*0
Nitric acid O[N+](=O)[O-]-124.48-134.20± 0.18kJ/mol63.01288 ±
0.00091
7697-37-2*0
Formyl [CH]=O41.42641.803± 0.099kJ/mol29.01804 ±
0.00086
2597-44-6*0
Hydroxymethyl [CH2]O-10.25-16.56± 0.33kJ/mol31.03392 ±
0.00088
2597-43-5*0
Chloroxyl radical Cl=O101.124101.715± 0.035kJ/mol51.45210 ±
0.00095
14989-30-1*0
Methylium [CH3+]1099.2431095.299± 0.078kJ/mol15.03397 ±
0.00083
14531-53-4*0
Ozone O=[O+][O-]144.396141.733± 0.039kJ/mol47.99820 ±
0.00090
10028-15-6*0
Cyanogen chloride ClC#N135.03135.72± 0.44kJ/mol61.4701 ±
0.0012
506-77-4*0
Phenyl c1cccc[c]1350.37337.08± 0.57kJ/mol77.1039 ±
0.0048
2396-01-2*0
Ethylium [CH2+]1[CH2][H]1915.03902.95± 0.32kJ/mol29.0606 ±
0.0016
14936-94-8*0
Methoxide C[O-]-122.54-130.27± 0.35kJ/mol31.03447 ±
0.00088
3315-60-4*0
Methoxy C[O]28.9021.53± 0.34kJ/mol31.03392 ±
0.00088
2143-68-2*0
Tetrabromomethane C(Br)(Br)(Br)Br131.5101.8± 1.1kJ/mol331.6267 ±
0.0041
558-13-4*0
Oxygen atom anion [O-]105.868108.097± 0.0021kJ/mol15.99995 ±
0.00030
14337-01-0*0
Nitrilomethyl [C]#N436.73440.01± 0.15kJ/mol26.01744 ±
0.00080
2074-87-5*0
Cyanogen fluoride FC#N8.889.21± 0.68kJ/mol45.01584 ±
0.00080
1495-50-7*0
Chloride [Cl-]-228.953-227.346± 0.0021kJ/mol35.45325 ±
0.00090
16887-00-6*0
Trihydrogen cation [H]1[H+][H]11110.3041106.696± 0.013kJ/mol3.02327 ±
0.00021
28132-48-1*0
Cyanogen bromide BrC#N187.41180.62± 0.73kJ/mol105.9214 ±
0.0013
506-68-3*0
Methylene fluoride C(F)F-443.16-450.73± 0.36kJ/mol52.02339 ±
0.00081
75-10-5*0
2-Propynyl [CH2]C#C354.00351.44± 0.38kJ/mol39.0559 ±
0.0024
2932-78-7*0
Propynylidene [CH]=C=[CH]543.38546.38± 0.63kJ/mol38.0480 ±
0.0024
67152-18-5*1
Dioxymethyl [O-]\[O+]=C112.43105.42± 0.61kJ/mol46.0254 ±
0.0010
56077-92-0*0
Oxygen atom cation [O+]1560.7861562.644± 0.0021kJ/mol15.99885 ±
0.00030
14581-93-2*0
Hypochlorite [Cl-]=O-118.60-118.33± 0.13kJ/mol51.45265 ±
0.00095
14380-61-1*0
1,2-Propadiene-1,3-diylidene [C]=C=[C]814.52823.48± 0.54kJ/mol36.0321 ±
0.0024
12075-35-3*0
Allyl C=C[CH2]179.56167.84± 0.54kJ/mol41.0718 ±
0.0024
1981-80-2*0
1-Hydroxyethyl C[CH]O-42.16-55.59± 0.61kJ/mol45.0605 ±
0.0017
2348-46-1*1
2-Hydroxyethyl [CH2]CO-12.79-26.06± 0.61kJ/mol45.0605 ±
0.0017
4422-54-2*1
Ethyl chloride CCCl-96.76-111.35± 0.20kJ/mol64.5138 ±
0.0019
75-00-3*0
Hydride [H-]143.264145.228± 0.000kJ/mol1.008489 ±
0.000070
12184-88-2*0
Oxygen difluoride FOF26.9424.69± 0.25kJ/mol53.99621 ±
0.00030
7783-41-7*0
Methylenimine C=N96.5388.62± 0.63kJ/mol29.04126 ±
0.00083
2053-29-4*0
Methylamine CN-5.97-21.05± 0.46kJ/mol31.05714 ±
0.00088
74-89-5*0
Nitrite O=[N-]=O-182.69-185.50± 0.45kJ/mol46.00609 ±
0.00060
14797-65-0*0
Nitrosyl hydride N=O109.93106.96± 0.11kJ/mol31.01408 ±
0.00032
14332-28-6*0
Nitrous acid N(=O)O-73.018-79.162± 0.079kJ/mol47.01348 ±
0.00061
7782-77-6*1
Ethynylene [C]=[C]820.21828.68± 0.27kJ/mol24.0214 ±
0.0016
12070-15-4*0
Ethynyl [CH][C]563.87567.99± 0.15kJ/mol25.0293 ±
0.0016
2122-48-7*0
Ethoxide CC[O-]-164.11-179.05± 0.52kJ/mol45.0610 ±
0.0017
16331-64-9*0
Chloroform C(Cl)(Cl)Cl-98.49-103.39± 0.64kJ/mol119.3767 ±
0.0028
67-66-3*0
Methylene chloride C(Cl)Cl-87.85-94.71± 0.59kJ/mol84.9320 ±
0.0020
75-09-2*0
Tetrafluoroethylene C(=C(F)F)(F)F-671.52-674.93± 0.57kJ/mol100.0150 ±
0.0016
116-14-3*0
Phenylium c1cccc[c+]11148.471136.57± 0.89kJ/mol77.1034 ±
0.0048
17333-73-2*0
Hypoiodous acid OI-56.6-61.3± 2.0kJ/mol143.91181 ±
0.00031
14332-21-9*0
Amidogen [NH2]188.91186.02± 0.12kJ/mol16.02262 ±
0.00016
13770-40-6*0
Methanium [CH5+]922.07911.83± 0.44kJ/mol17.04985 ±
0.00087
15135-49-6*0
Hydroxylamine NO-33.12-43.50± 0.49kJ/mol33.02996 ±
0.00037
7803-49-8*1
Oxirane C1OC1-40.00-52.54± 0.38kJ/mol44.0526 ±
0.0017
75-21-8*0
Methyl hydroperoxide COO-114.90-127.72± 0.74kJ/mol48.0413 ±
0.0010
3031-73-0*0
Hydroxyformyl O[C]=O-180.96-183.93± 0.48kJ/mol45.0174 ±
0.0010
2564-86-5*1
Isocyanic acid N=C=O-115.85-118.85± 0.31kJ/mol43.02478 ±
0.00086
75-13-8*0
Tetraiodomethane C(I)(I)(I)I340.8335.7± 1.3kJ/mol519.62858 ±
0.00081
507-25-5*0
Chlorotrifluoromethane C(F)(F)(F)Cl-704.97-710.08± 0.72kJ/mol104.4586 ±
0.0012
75-72-9*0
Bromotrifluoromethane C(F)(F)(F)Br-639.45-651.57± 0.50kJ/mol148.9099 ±
0.0013
75-63-8*0
Fluoromethylidyne [C]F243.11246.71± 0.13kJ/mol31.00910 ±
0.00080
3889-75-6*0
Fluoroxyl radical [O]F110.26110.88± 0.15kJ/mol34.99780 ±
0.00030
12061-70-0*0
Dioxygen cation O=[O+]1164.5851165.221± 0.0092kJ/mol31.99825 ±
0.00060
12185-07-8*0
Methylidyne [CH]664.55667.88± 0.59kJ/mol13.01864 ±
0.00080
3315-37-5*2
Ethoxy CC[O]1.16-12.74± 0.51kJ/mol45.0605 ±
0.0017
2154-50-9*51
Cyanato N#C[O]127.02127.49± 0.35kJ/mol42.01684 ±
0.00086
22400-26-6*0
Phosgene C(=O)(Cl)Cl-217.43-219.13± 0.27kJ/mol98.9155 ±
0.0020
75-44-5*0
Bromoform C(Br)(Br)Br74.348.1± 1.3kJ/mol252.7306 ±
0.0031
75-25-2*0
Vinyl chloride C=CCl29.5722.10± 0.34kJ/mol62.4979 ±
0.0018
75-01-4*0
Acetone CC(=O)C-199.45-216.14± 0.36kJ/mol58.0791 ±
0.0025
67-64-1*0
Hydrogen fluoride F-334.51± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*800
Hypobromite Br[O-]-96.24-103.73± 0.55kJ/mol95.9039 ±
0.0010
14380-62-2*0
Diazenylium N#[NH+]1042.781039.17± 0.73kJ/mol29.02087 ±
0.00016
12357-66-3*0
Peroxynitrous acid OON=O-5.99-14.43± 0.36kJ/mol63.01288 ±
0.00091
14691-52-2*3
Dioxygenyl fluoride FO[O]26.7525.04± 0.27kJ/mol50.99720 ±
0.00060
15499-23-7*0
Cyclopropane C1CC170.8053.65± 0.46kJ/mol42.0797 ±
0.0024
75-19-4*0
Propadienylidene C=C=[C]554.45555.59± 0.42kJ/mol38.0480 ±
0.0024
60731-10-4*0
Acetyl C[C]=O-3.31-9.97± 0.37kJ/mol43.0446 ±
0.0016
3170-69-2*0
Methylperoxy CO[O]22.2912.54± 0.49kJ/mol47.0333 ±
0.0010
2143-58-0*0
Ethyl fluoride CCF-257.30-272.16± 0.37kJ/mol48.0595 ±
0.0016
353-36-6*0
Ethyl bromide CCBr-41.14-63.09± 0.26kJ/mol108.9651 ±
0.0019
74-96-4*0
Vinyl fluoride C=CF-134.71-142.51± 0.47kJ/mol46.0436 ±
0.0016
75-02-5*0
Vinyl bromide C=CBr88.8274.01± 0.59kJ/mol106.9492 ±
0.0019
593-60-2*0
2-Bromoethanol BrCCO-196.57-220.63± 0.54kJ/mol124.9645 ±
0.0019
540-51-2*0
Fluorobenzene c1ccc(cc1)F-99.29-114.97± 0.83kJ/mol96.1023 ±
0.0048
462-06-6*0
Nitromethane C[N+](=O)[O-]-60.86-74.76± 0.47kJ/mol61.0401 ±
0.0010
75-52-5*0
Dioxidanide O[O-]-88.86-91.52± 0.38kJ/mol33.00729 ±
0.00060
14691-59-9*0
Nitrous oxide [N-]=[N+]=O85.99882.568± 0.097kJ/mol44.01288 ±
0.00033
10024-97-2*0
(E)-Diazene [H]/N=N/[H]207.35200.20± 0.44kJ/mol30.02936 ±
0.00020
15626-43-4*0
Hydroxyoxomethylium O[C+]=O600.76597.68± 0.43kJ/mol45.0169 ±
0.0010
638-71-1*0
Vinylium [CH+]1[CH][H]11119.201115.75± 0.57kJ/mol27.0447 ±
0.0016
14604-48-9*0
Hydroxymethylium [CH2+]O717.85709.91± 0.19kJ/mol31.03337 ±
0.00088
18682-95-6*0
Cyanogen N#CC#N308.18310.12± 0.43kJ/mol52.0349 ±
0.0016
460-19-5*0
Cyanogen iodide IC#N222.47221.95± 0.99kJ/mol152.92191 ±
0.00080
506-78-5*0
iso-Propyl C[CH]C105.2888.68± 0.67kJ/mol43.0877 ±
0.0024
2025-55-0*0
Ethynide [CH][C-]277.42280.83± 0.19kJ/mol25.0299 ±
0.0016
29075-95-4*0
iso-Butane CC(C)C-106.17-134.78± 0.33kJ/mol58.1222 ±
0.0033
75-28-5*0
n-Pentane CCCCC-114.47-146.34± 0.31kJ/mol72.1488 ±
0.0041
109-66-0*0
2-Chloroethanol ClCCO-250.03-266.74± 0.61kJ/mol80.5132 ±
0.0019
107-07-3*0
Hypofluorite [O-]F-108.90-108.73± 0.48kJ/mol34.99835 ±
0.00030
12763-66-5*0
Hydrogen chloride Cl-166.454± 0.024kJ/mol36.46064 ±
0.00090
7647-01-0*834
Bromoxyl radical Br[O]131.12123.59± 0.29kJ/mol95.9034 ±
0.0010
15656-19-6*0
Hydroxyamidogen [NH]O101.594.7± 1.0kJ/mol32.02202 ±
0.00034
13940-32-4*1
Nitrate O=[N+]([O-])[O-]-300.25-306.72± 0.61kJ/mol62.00549 ±
0.00090
14797-55-8*0
Water O-285.828± 0.027kJ/mol18.01528 ±
0.00033
7732-18-5*590
Formyl anion [CH-]=O11.6212.01± 0.43kJ/mol29.01859 ±
0.00086
57340-31-5*0
Propyl CC[CH2]117.92100.81± 0.61kJ/mol43.0877 ±
0.0024
2143-61-5*0
2-Propynylidyne C#C[C]717.95722.30± 0.81kJ/mol37.0400 ±
0.0024
53590-28-6*0
Dicarbon monoxide [C]=C=O454.95459.28± 0.88kJ/mol40.0208 ±
0.0016
12071-23-7*2
Methanetetraylbisamidogen [N]=C=[N]450.39450.80± 0.68kJ/mol40.02418 ±
0.00081
2669-76-3*0
Methylene bromide C(Br)Br24.93.5± 1.1kJ/mol173.8346 ±
0.0022
74-95-3*0
2-Fluoroethanol FCCO-406.8-424.0± 1.1kJ/mol64.0589 ±
0.0017
371-62-0*0
Phenide c1cccc[c-]1244.70231.79± 0.43kJ/mol77.1044 ±
0.0048
30922-78-2*0
Bromobenzene c1ccc(cc1)Br126.5104.5± 1.3kJ/mol157.0079 ±
0.0049
108-86-1*0
Hydrogen bromide Br-120.80± 0.16kJ/mol80.9119 ±
0.0010
10035-10-6*800
Iodine monochloride ICl19.02417.391± 0.013kJ/mol162.35717 ±
0.00090
7790-99-0*0
Iodotrifluoromethane C(F)(F)(F)I-583.99-589.87± 0.54kJ/mol195.91038 ±
0.00080
2314-97-8*0
Nitrogen atom cation [N+]1872.9051875.687± 0.024kJ/mol14.006191 ±
0.000070
14158-23-7*0
Azido radical [N]N=[N]452.24449.65± 0.58kJ/mol42.02022 ±
0.00021
12596-60-0*0
Trinitrogen cation [N]N=[N+]1519.391516.86± 0.87kJ/mol42.01967 ±
0.00021
12185-03-4*0
Oxonitrate anion N#[O-]87.9187.94± 0.12kJ/mol30.00669 ±
0.00031
14967-78-3*0
Carbon monoxide cation [C]#[O+]1238.3071241.586± 0.026kJ/mol28.00955 ±
0.00085
12144-04-6*0
Nitrosyl ion N#[O+]984.485984.479± 0.065kJ/mol30.00559 ±
0.00031
14452-93-8*0
Nitroxyl N[O]71.3464.73± 0.85kJ/mol32.02202 ±
0.00034
13408-29-2*0
Hydrazoic acid N=[N+]=[N-]297.92291.62± 0.48kJ/mol43.02816 ±
0.00022
7782-79-8*0
Ethonium [CH3+][H][CH3]874.54858.27± 0.61kJ/mol31.0764 ±
0.0017
24669-33-8*1
Acetylium C[C+]=O667.18660.02± 0.65kJ/mol43.0441 ±
0.0016
15762-07-9*0
Hydroxymethylene [CH]O112.40108.63± 0.33kJ/mol30.02598 ±
0.00087
19710-56-6*1
Carbonic acid OC(=O)O-602.78-612.96± 0.79kJ/mol62.0248 ±
0.0012
463-79-6*1
1-Butene CCC=C20.88-0.08± 0.38kJ/mol56.1063 ±
0.0032
106-98-9*0
n-Hexane CCCCCC-130.06-166.93± 0.34kJ/mol86.1754 ±
0.0049
110-54-3*0
1-Hydroxyethylium C[CH+]O609.14594.72± 0.39kJ/mol45.0600 ±
0.0017
18682-96-7*1
Ethoxy CC[O]5.41-9.02± 0.52kJ/mol45.0605 ±
0.0017
2154-50-9*52
Dicarbon monoxide [C]=C=O376.30380.34± 0.97kJ/mol40.0208 ±
0.0016
12071-23-7*1
Formic acid C(=O)O-354.76-362.00± 0.38kJ/mol46.0254 ±
0.0010
64-18-6*2
Formyloxidanyl C(=O)[O]-124.76-126.43± 0.55kJ/mol45.0174 ±
0.0010
16499-21-1*1
Formate C(=O)[O-]-462.11-465.75± 0.55kJ/mol45.0180 ±
0.0010
71-47-6*0
Chlorodifluoromethane C(F)(F)Cl-476.5-482.6± 1.2kJ/mol86.4681 ±
0.0012
75-45-6*0
Fluoromethylene [CH]F148.26148.54± 0.44kJ/mol32.01704 ±
0.00080
13453-52-6*2
Fluoroformyl F[C]=O-176.70-176.12± 0.38kJ/mol47.00850 ±
0.00085
1871-24-5*0
Benzaldehyde c1ccc(cc1)C=O-19.16-36.96± 0.92kJ/mol106.1219 ±
0.0056
100-52-7*0
Chlorobenzene c1ccc(cc1)Cl67.1352.18± 0.61kJ/mol112.5566 ±
0.0049
108-90-7*0
Hydrogen chloride Cl-166.994± 0.023kJ/mol36.46064 ±
0.00090
7647-01-0*800
Bromonium [H][BrH+]925.4914.7± 1.2kJ/mol81.9193 ±
0.0010
36658-54-5*0
Hydrogen peroxide cation O[OH+]896.87889.88± 0.57kJ/mol34.01413 ±
0.00062
12325-10-9*1
Amide [NH2+]114.88112.00± 0.33kJ/mol16.02317 ±
0.00016
17655-31-1*0
Hydrazine NN111.8497.68± 0.49kJ/mol32.04524 ±
0.00031
302-01-2*0
Fluoronium [H][F+][H]774.42771.47± 0.85kJ/mol21.01373 ±
0.00014
12206-67-6*0
Methanide [CH3-]146.05142.61± 0.91kJ/mol15.03507 ±
0.00083
15194-58-8*0
Trioxidane OOO-81.43-90.27± 0.70kJ/mol50.01408 ±
0.00091
14699-99-1*1
Ethylidene [CH]C361.45354.45± 0.82kJ/mol28.0532 ±
0.0016
4218-50-2*1
Peroxyformic acid C(=O)OO-279.8-289.1± 1.1kJ/mol62.0248 ±
0.0012
107-32-4*1
1-Methylethenyl C[C]=C262.90252.56± 0.71kJ/mol41.0718 ±
0.0024
15552-77-9*0
Isobutene CC(=C)C3.92-17.15± 0.44kJ/mol56.1063 ±
0.0032
115-11-7*0
trans-2-Butene C/C=C/C9.26-11.30± 0.41kJ/mol56.1063 ±
0.0032
624-64-6*0
cis-2-Butene C/C=C\C13.95-7.32± 0.42kJ/mol56.1063 ±
0.0032
590-18-1*0
1,3-Butadiene C=CC=C125.05110.57± 0.42kJ/mol54.0904 ±
0.0032
106-99-0*0
Cyclopentane C1CCCC1-45.01-77.58± 0.44kJ/mol70.1329 ±
0.0041
287-92-3*0
1,3-Cyclopentadiene C1C=CC=C1149.88132.76± 0.76kJ/mol66.1011 ±
0.0040
542-92-7*0
1-Hydroxyethyl C[CH]O-40.65-54.12± 0.86kJ/mol45.0605 ±
0.0017
2348-46-1*2
Protonated oxirane [OH+]1CC1725.29709.12± 0.64kJ/mol45.0600 ±
0.0017
*38607-31-7*0
Oxoethenyl [CH]=C=O176.85177.97± 0.60kJ/mol41.0287 ±
0.0016
51095-15-9*0
Methanediol C(O)O-379.05-393.25± 0.95kJ/mol48.0413 ±
0.0010
463-57-0*1
Acetyl chloride CC(=O)Cl-232.68-241.55± 0.33kJ/mol78.4973 ±
0.0019
75-36-5*0
Methyl formate COC=O-344.75-357.80± 0.58kJ/mol60.0520 ±
0.0017
107-31-3*1
Trioxidanide OO[O-]-121.0-124.0± 1.4kJ/mol49.00669 ±
0.00090
89965-38-8*2
Difluorodichloromethane C(F)(F)(Cl)Cl-490.69-495.46± 0.97kJ/mol120.9129 ±
0.0020
75-71-8*0
Fluorodichloromethane C(F)(Cl)Cl-278.9-284.2± 1.2kJ/mol102.9224 ±
0.0020
75-43-4*0
Trifluoromethylium [C+](F)(F)F409.00405.93± 0.51kJ/mol69.00536 ±
0.00080
18851-76-8*0
Methyl nitrite CON=O-55.46-67.24± 0.46kJ/mol61.0401 ±
0.0010
624-91-9*2
Dichlorine monoxide ClOCl79.7677.95± 0.36kJ/mol86.9048 ±
0.0018
7791-21-1*0
Chlorine peroxide ClOOCl134.51131.28± 0.56kJ/mol102.9042 ±
0.0019
12292-23-8*0
Iodoxyl radical I[O]127.0125.0± 1.1kJ/mol142.90387 ±
0.00030
14696-98-1*0
Dinitrogen cation N#[N+]1503.3111503.312± 0.0011kJ/mol28.01293 ±
0.00014
13966-04-6*0
Carbon dioxide cation [C+](=O)=O936.092936.927± 0.017kJ/mol44.00895 ±
0.00100
12181-61-2*0
Nitrogen sesquioxide O=N-[N](=O)[O]90.7286.15± 0.15kJ/mol76.01168 ±
0.00091
10544-73-7*0
Ammonium [NH4+]643.05631.74± 0.21kJ/mol18.03795 ±
0.00029
14798-03-9*0
Chloronium [H][ClH+]881.29878.19± 0.97kJ/mol37.46803 ±
0.00091
36658-55-6*0
Ammonium [NH4+]-133.077± 0.056kJ/mol18.03795 ±
0.00029
14798-03-9*800
Hydrazyl N[NH]235.28224.62± 0.83kJ/mol31.03730 ±
0.00025
13598-46-4*0
Dioxygen difluoride FOOF33.6629.93± 0.50kJ/mol69.99561 ±
0.00060
7783-44-0*0
Ethylidene [CH]C373.93366.70± 0.86kJ/mol28.0532 ±
0.0016
4218-50-2*2
Hydrogen isocyanide cation [C+]=N1352.71352.7± 1.2kJ/mol27.02483 ±
0.00081
74158-11-5*0
Propargylenide C#C[CH-]434.6437.1± 1.1kJ/mol38.0485 ±
0.0024
82906-05-6*1
2-Hydroxyethyl [CH2]CO-10.04-22.67± 0.85kJ/mol45.0605 ±
0.0017
4422-54-2*2
Dimethyl ether COC-166.50-184.01± 0.44kJ/mol46.0684 ±
0.0017
115-10-6*0
Methanediol C(O)O-368.51-381.66± 0.99kJ/mol48.0413 ±
0.0010
463-57-0*2
Dichloride Cl[Cl-]-230.4-229.3± 1.4kJ/mol70.9059 ±
0.0018
12595-89-0*0
Chlorine dioxide O=Cl=O101.0398.56± 0.30kJ/mol67.4515 ±
0.0011
10049-04-4*0
Hydroperoxonium [OH2+]O738.17727.91± 0.98kJ/mol35.02207 ±
0.00064
70850-26-9*1
Formyl fluoride FC=O-378.72-382.31± 0.33kJ/mol48.01644 ±
0.00086
1493-02-3*0
Nitric acid O[N+](=O)[O-]-206.63± 0.18kJ/mol63.01288 ±
0.00091
7697-37-2*800
Hydrogen fluoride F-321.06± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*818
Oxoammoniumyl [NH+]=O1092.621089.69± 0.67kJ/mol31.01353 ±
0.00032
63559-87-5*0
Difluoride F[F-]-290.8-290.0± 1.4kJ/mol37.9973550 ±
0.0000010
12184-85-9*0
Peroxynitrous acid OON=O7.670.59± 0.40kJ/mol63.01288 ±
0.00091
14691-52-2*1
Vinylidene [C]=C411.29412.20± 0.33kJ/mol26.0373 ±
0.0016
2143-69-3*0
Ethylidyne [C]C508.58504.88± 0.87kJ/mol27.0452 ±
0.0016
67624-57-1*0
Ethylidyne [C]C640.6636.1± 1.2kJ/mol27.0452 ±
0.0016
67624-57-1*2
Iminomethyl cation [NH+]#C953.3949.3± 1.5kJ/mol28.03277 ±
0.00082
196216-36-1*0
Chlorine superoxide ClO[O]103.82102.73± 0.37kJ/mol67.4515 ±
0.0011
17376-09-9*0
Water dimer O.O-491.082-499.121± 0.053kJ/mol36.03056 ±
0.00066
25655-83-8*0
iso-Propylium C[CH+]C822.88805.62± 0.26kJ/mol43.0871 ±
0.0024
19252-53-0*0
Trioxidane OOO-72.03-80.52± 0.81kJ/mol50.01408 ±
0.00091
14699-99-1*2
1-Propenyl CC=[CH]277.98267.19± 0.79kJ/mol41.0718 ±
0.0024
6067-68-1*2
1-Propynyl CC#[C]529.00526.64± 0.81kJ/mol39.0559 ±
0.0024
89342-91-6*0
Propargylenide C#C[CH-]437.0439.5± 1.1kJ/mol38.0485 ±
0.0024
82906-05-6*2
2-Propyn-1-ylium-1-ylidene C#C[C+]1598.01602.9± 1.3kJ/mol37.0395 ±
0.0024
75104-46-0*0
2-Butyne CC#CC158.96146.00± 0.59kJ/mol54.0904 ±
0.0032
503-17-3*0
1-Butyne CCC#C179.36165.77± 0.67kJ/mol54.0904 ±
0.0032
107-00-6*0
iso-Pentane CCC(C)C-119.22-153.27± 0.44kJ/mol72.1488 ±
0.0041
78-78-4*0
Chlorine fluoride ClF-55.612-55.707± 0.055kJ/mol54.45110 ±
0.00090
7790-89-8*0
2-Hydroxyethyl [CH2]CO-5.1-17.5± 1.2kJ/mol45.0605 ±
0.0017
4422-54-2*3
Vinoxy C=C[O]22.4615.62± 0.77kJ/mol43.0446 ±
0.0016
6912-06-7*0
Acetyl anion C[C-]=O-43.8-49.4± 1.3kJ/mol43.0452 ±
0.0016
78944-68-0*0
Ketene C=C=O182.5177.5± 1.1kJ/mol42.0367 ±
0.0016
463-51-4*1
Formic acid C(=O)O-371.12-378.42± 0.22kJ/mol46.0254 ±
0.0010
64-18-6*0
Hydroxyformyl O[C]=O-174.04-177.07± 0.51kJ/mol45.0174 ±
0.0010
2564-86-5*2
Hydroxyformyl anion [C-](=O)O-319.36-322.13± 0.58kJ/mol45.0180 ±
0.0010
78944-70-4*2
Fluorotrichloromethane C(Cl)(Cl)(Cl)F-286.9-290.1± 1.2kJ/mol137.3672 ±
0.0028
75-69-4*0
Bromotrichloromethane C(Cl)(Cl)(Cl)Br-33.82-42.97± 0.71kJ/mol198.2728 ±
0.0030
75-62-7*0
Difluoromethylene [C](F)F-193.99-193.51± 0.38kJ/mol50.00751 ±
0.00080
2154-59-8*0
Fluoromethylene [CH]F210.12210.45± 0.68kJ/mol32.01704 ±
0.00080
13453-52-6*1
Hexafluoroethane C(F)(F)(F)C(F)(F)F-1334.5-1342.8± 1.5kJ/mol138.0118 ±
0.0016
76-16-4*0
1,1-Difluoroethane CC(F)F-489.09-502.81± 0.65kJ/mol66.0500 ±
0.0016
75-37-6*0
2-Hydrotrioxy [O][OH][O]300.9295.2± 1.1kJ/mol49.00614 ±
0.00090
*12500-78-6*0
1,1-Difluoroethene C=C(F)F-343.72-350.78± 0.85kJ/mol64.0341 ±
0.0016
75-38-7*0
Tricarbon dioxide O=C=C=C=O-96.2-94.1± 1.2kJ/mol68.0309 ±
0.0025
504-64-3*0
Iodobenzene c1ccc(cc1)I177.6161.6± 1.0kJ/mol204.0084 ±
0.0048
591-50-4*0
Iodine monobromide IBr49.71740.770± 0.067kJ/mol206.8085 ±
0.0010
7789-33-5*0
Nitrosyl nitrite O=NON=O92.687.5± 1.2kJ/mol76.01168 ±
0.00091
122413-35-8*1
Nitroxyl O=[N+]([O-])[O]79.3874.13± 0.19kJ/mol62.00494 ±
0.00090
12033-49-7*0
Isodiazene [N]N307.99300.93± 0.75kJ/mol30.02936 ±
0.00020
28647-38-3*0
Nitryl hydride [NH+](=O)[O-]-37.2-44.2± 1.5kJ/mol47.01348 ±
0.00061
90266-90-3*0
Carbon atom cation [C+]1797.8541803.452± 0.050kJ/mol12.01015 ±
0.00080
14067-05-1*0
Methyliumyl [CH2+]1393.091393.95± 0.13kJ/mol14.02603 ±
0.00081
15091-72-2*0
Oxygen atom [O]436.666438.523± 0.0021kJ/mol15.99940 ±
0.00030
17778-80-2*2
Methyliumylidene [CH+]1619.7581623.102± 0.057kJ/mol13.01809 ±
0.00080
24361-82-8*0
Methylidyne anion [CH-]475.47478.79± 0.91kJ/mol13.01919 ±
0.00080
28604-54-8*0
Ozonide O=[O-]=O-58.48-60.83± 0.21kJ/mol47.99875 ±
0.00090
12596-80-4*0
(E)-Iminomethyl [CH]=N275.92272.30± 0.84kJ/mol28.03332 ±
0.00082
54980-10-8*0
Nitrilomethylium [C+]#N1778.31781.8± 1.2kJ/mol26.01689 ±
0.00080
12539-57-0*0
Fluoroacetylene C#CF104.73105.45± 0.41kJ/mol44.0277 ±
0.0016
2713-09-9*0
Chloroacetylene C#CCl228.3229.2± 1.1kJ/mol60.4820 ±
0.0018
593-63-5*0
Methanol cation [CH3+]O857.08846.75± 0.33kJ/mol32.04131 ±
0.00090
12538-91-9*0
Methyloxonium CO.[H+]589.9575.7± 1.2kJ/mol33.04925 ±
0.00092
17836-08-7*0
Hydroxyde [OH-]-230.012± 0.029kJ/mol17.00789 ±
0.00031
14280-30-9*800
Oxidanylium [OH+]1293.1891293.218± 0.035kJ/mol17.00679 ±
0.00031
12259-29-9*0
Carbonic acid OC(=O)O-596.93-607.04± 0.85kJ/mol62.0248 ±
0.0012
463-79-6*2
Carbonic acid OC(=O)O-561.70-570.55± 0.98kJ/mol62.0248 ±
0.0012
463-79-6*3
1,2-Propadienyl anion C=C=[CH-]265.85262.65± 0.72kJ/mol39.0565 ±
0.0024
64066-06-4*0
1-Propynyl anion CC#[C-]265.06261.59± 0.81kJ/mol39.0565 ±
0.0024
36147-87-2*0
Bromine monochloride BrCl21.88014.437± 0.060kJ/mol115.3567 ±
0.0013
13863-41-7*0
neo-Pentane CC(C)(C)C-134.64-167.52± 0.41kJ/mol72.1488 ±
0.0041
463-82-1*0
Cyclohexane C1CCCCC1-83.59-123.15± 0.36kJ/mol84.1595 ±
0.0049
110-82-7*0
2-Hydroxyethylium [CH2+]CO1019.61006.8± 1.6kJ/mol45.0600 ±
0.0017
38607-31-7*3
Vinyl alcohol C=CO-112.55-123.86± 0.84kJ/mol44.0526 ±
0.0017
557-75-5*1
Ethynol C#CO94.992.8± 1.3kJ/mol42.0367 ±
0.0016
32038-79-2*0
Hydroxyformyl anion [C-](=O)O-313.53-315.48± 0.59kJ/mol45.0180 ±
0.0010
78944-70-4*1
1-Propanol CCCO-231.38-255.22± 0.26kJ/mol60.0950 ±
0.0025
71-23-8*0
2-Propanol CC(O)C-248.77-272.87± 0.36kJ/mol60.0950 ±
0.0025
67-63-0*0
Acetic acid CC(=O)O-418.38-432.50± 0.54kJ/mol60.0520 ±
0.0017
64-19-7*1
Ethylene glycol OCCO-369.80-389.43± 0.49kJ/mol62.0678 ±
0.0018
107-21-1*0
Fluorochloromethane C(F)Cl-256.4-263.6± 1.3kJ/mol68.4777 ±
0.0012
593-70-4*0
Chlorine atom cation [Cl+]1370.8061372.602± 0.0011kJ/mol35.45215 ±
0.00090
24203-47-2*0
Trioxidanyl OO[O]25.3123.33± 0.13kJ/mol49.00614 ±
0.00090
12500-78-6*1
1,3-Butadiyne C#CC#C458.57460.30± 0.86kJ/mol50.0587 ±
0.0032
460-12-8*0
Toluene c1ccc(cc1)C73.5650.27± 0.36kJ/mol92.1384 ±
0.0056
108-88-3*0
Fluorobenzene cation c1ccc(cc1)[F+]788.69774.00± 0.83kJ/mol96.1018 ±
0.0048
34468-25-2*0
Nitromethyl C=[N+](=O)[O-]138.8129.4± 1.2kJ/mol60.0321 ±
0.0010
16787-85-2*0
Dinitrogen pentoxide O=[N+]([O-])O[N+](=O)[O-]24.4114.84± 0.35kJ/mol108.0105 ±
0.0015
10102-03-1*0
Water anion [H][O-][H]30.529.0± 2.5kJ/mol18.01583 ±
0.00033
12259-30-2*100
Bromonium [Br+]1257.7771251.714± 0.056kJ/mol79.90345 ±
0.00100
22541-56-6*0
Peroxynitric acid [N+](=O)([O-])OO-42.6-54.1± 1.3kJ/mol79.0123 ±
0.0012
26404-66-0*0
Nitrosyl chloride ClN=O54.45152.549± 0.067kJ/mol65.45884 ±
0.00095
2696-92-6*0
Carbon dioxide C(=O)=O49.4850.33± 0.99kJ/mol44.00950 ±
0.00100
124-38-9*1
Methane cation [CH4+]1150.841144.45± 0.25kJ/mol16.04191 ±
0.00085
20741-88-2*0
Ethonium [CH3+][H][CH3]874.54858.30± 0.61kJ/mol31.0764 ±
0.0017
24669-33-8*0
Vinyl anion C=[CH-]237.24232.82± 0.84kJ/mol27.0458 ±
0.0016
25012-81-1*0
Acetylene cation C#[CH+]1328.851328.18± 0.14kJ/mol26.0367 ±
0.0016
25641-79-6*0
Bromide [Br-]-120.80± 0.16kJ/mol79.90455 ±
0.00100
24959-67-9*800
1-Ethylium-1-ylidene [C+]C1329.61328.2± 1.2kJ/mol27.0447 ±
0.0016
78949-84-5*0
Ethylidyne anion [C-]C456.8452.7± 1.4kJ/mol27.0458 ±
0.0016
117768-70-4*0
Vinylidene anion [C-]=C364.15363.97± 0.62kJ/mol26.0378 ±
0.0016
66295-36-1*0
Iodide [I-]-56.829± 0.090kJ/mol126.905019 ±
0.000030
20461-54-5*800
Ethynylium [CH][C+]1687.591690.93± 0.16kJ/mol25.0288 ±
0.0016
16456-59-0*0
Aminomethyl [CH2]N159.40148.51± 0.58kJ/mol30.04920 ±
0.00085
10507-29-6*0
Methylamidogen anion C[NH-]145.99134.64± 0.76kJ/mol30.04975 ±
0.00085
54448-39-4*0
Methyleneamidogen C=[N]242.22238.56± 0.85kJ/mol28.03332 ±
0.00082
15845-29-1*0
(Z)-Iminomethyl [CH]=N294.5291.0± 1.2kJ/mol28.03332 ±
0.00082
54980-11-9*0
Methyloxoniumylidene C[O+]1062.431054.62± 0.72kJ/mol31.03337 ±
0.00088
58157-09-8*0
Hydroxymethylene [CH]O130.86127.11± 0.34kJ/mol30.02598 ±
0.00087
19710-56-6*2
Hydroxymethylene cation [CH+]O971.9968.3± 1.3kJ/mol30.02543 ±
0.00087
135395-06-1*1
Hydrogen difluoride cation [F+]F[H]1173.51170.6± 1.7kJ/mol39.004198 ±
0.000070
*126950-54-7*0
Oxoniumyl ion [H][O+][H]978.472975.569± 0.029kJ/mol18.01473 ±
0.00033
56583-62-1*0
Isoformyl [C]O217.30217.69± 0.67kJ/mol29.01804 ±
0.00086
71080-92-7*0
Azide ion [N]N=[N-]193.63190.05± 0.89kJ/mol42.02077 ±
0.00021
14343-69-2*0
1-Propenyl CC=[CH]280.02269.21± 0.81kJ/mol41.0718 ±
0.0024
6067-68-1*1
Cyclopropene C1C=C1292.54283.82± 0.54kJ/mol40.0639 ±
0.0024
2781-85-3*0
Cyclobutane C1CCC152.1727.63± 0.47kJ/mol56.1063 ±
0.0032
287-23-0*0
Dioxidenium O[O+]1110.871107.98± 0.11kJ/mol33.00619 ±
0.00060
12207-52-2*0
n-Heptane CCCCCCC-145.65-187.53± 0.48kJ/mol100.2019 ±
0.0057
142-82-5*0
n-Octane CCCCCCCC-161.43-208.27± 0.67kJ/mol114.2285 ±
0.0065
111-65-9*0
1-Hydroxyethylium C[CH+]O611.1596.6± 1.2kJ/mol45.0600 ±
0.0017
18682-96-7*2
1H-Triazirin-1-yl [N]1N=[N]1585.9584.1± 2.0kJ/mol42.02022 ±
0.00021
912535-95-6*0
Vinyl alcohol C=CO-108.10-118.62± 0.88kJ/mol44.0526 ±
0.0017
557-75-5*2
Vinyl alcohol cation C=C[OH+]779.2768.0± 1.2kJ/mol44.0520 ±
0.0017
57239-63-1*2
Oxiranyl C1[CH]O1172.8164.5± 1.4kJ/mol43.0446 ±
0.0016
31586-84-2*0
Oxiranylium C1[CH+]O1901.6893.6± 1.4kJ/mol43.0441 ±
0.0016
57789-76-1*2
C=O=C [C]=[O]=[C]653.3657.6± 2.2kJ/mol40.0208 ±
0.0016
*12071-23-7*1
C=O=C [C]=[O]=[C]721.5725.9± 1.6kJ/mol40.0208 ±
0.0016
*12071-23-7*2
Oxirene C1=CO1272.81272.12± 0.98kJ/mol42.0367 ±
0.0016
157-18-6*2
Oxirene C1=CO1388.7384.5± 2.6kJ/mol42.0367 ±
0.0016
157-18-6*11
Formic acid cation [CH+](=O)O721.86714.77± 0.26kJ/mol46.0248 ±
0.0010
50614-05-6*1
Dioxirane C1OO19.411.74± 0.54kJ/mol46.0254 ±
0.0010
157-26-6*0
Formyloxidanyl C(=O)[O]-120.94-124.29± 0.55kJ/mol45.0174 ±
0.0010
16499-21-1*2
Isofulminic acid C#[N+][O-]170.91169.45± 0.49kJ/mol43.02478 ±
0.00086
51060-05-0*0
Trioxidanylium OO[O+]1070.21063.9± 1.3kJ/mol49.00559 ±
0.00090
74241-49-9*1
Methyl formate COC=O-324.6-337.1± 1.6kJ/mol60.0520 ±
0.0017
107-31-3*2
Methyl iodide CI-12.20± 0.19kJ/mol141.93899 ±
0.00083
74-88-4*590
Difluoromethylene [C](F)F43.2043.92± 0.38kJ/mol50.00751 ±
0.00080
2154-59-8*1
Difluoromethylene [C](F)F-193.99-193.51± 0.38kJ/mol50.00751 ±
0.00080
2154-59-8*2
Ethyl iodide CCI-9.40-39.26± 0.49kJ/mol155.9656 ±
0.0016
75-03-6*500
Fluoro(fluorooxy)methylene F[C]OF-135.8-137.0± 2.0kJ/mol66.00691 ±
0.00085
479587-30-9*2
Dibromophosgene C(Br)(Br)=O-97.98-113.91± 0.37kJ/mol187.8181 ±
0.0022
593-95-3*0
Fluoride [F-]-334.51± 0.17kJ/mol18.99895178 ±
0.00000050
16984-48-8*800
Benzene c1ccccc150.7249.17± 0.25kJ/mol78.1118 ±
0.0048
71-43-2*500
Benzoyl fluoride c1ccc(cc1)C(=O)F-288.0-304.4± 1.5kJ/mol124.1124 ±
0.0056
455-32-3*0
(E)-Diazene cation [H]/N=[N+]/[H]1132.581125.67± 0.67kJ/mol30.02881 ±
0.00020
59952-06-6*0
(E)-Diazene anion [H]/N=[N-]/[H]269.3262.4± 1.7kJ/mol30.02991 ±
0.00020
*59952-06-6*0
(Z)-Diazene [H]/N=N\[H]229.21222.07± 0.64kJ/mol30.02936 ±
0.00020
15626-42-3*0
Diazenyl [N]=N252.25249.33± 0.48kJ/mol29.02142 ±
0.00016
36882-13-0*0
Hydroxyaminiumyl [N+]O1160.61157.7± 1.3kJ/mol31.01353 ±
0.00032
63559-88-6*0
Hydroxyamidogen [NH]O123.5117.0± 1.4kJ/mol32.02202 ±
0.00034
13940-32-4*2
Hydroxyaminylium [NH+]O1020.21013.0± 1.9kJ/mol32.02147 ±
0.00034
66097-71-0*1
Triiodide ion I[I-]I-51.36± 0.80kJ/mol380.713959 ±
0.000090
14900-04-0*800
Dioxyamidogen [NH-][O+]=O240.4233.7± 1.8kJ/mol47.01348 ±
0.00061
71843-95-3*2
Peroxynitrous acid OON=O-0.35-7.40± 0.53kJ/mol63.01288 ±
0.00091
14691-52-2*2
Dioxiranylidene [C]1OO1190.6191.4± 1.3kJ/mol44.00950 ±
0.00100
138832-57-2*0
Deuterium atom [2H]219.804221.717± 0.000kJ/mol2.01410177800 ±
0.00000000040
16873-17-9*0
Hypoiodite I[O-]-102.5-104.4± 1.2kJ/mol142.90442 ±
0.00030
15065-65-3*0
Methylene anion [CH2-]328.48328.91± 0.51kJ/mol14.02713 ±
0.00081
50928-07-9*0
Methylidyne [CH]592.78596.12± 0.11kJ/mol13.01864 ±
0.00080
3315-37-5*1
Hydrogen fluoride F-321.15± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*821
Ethylidyne [C]C508.58504.88± 0.87kJ/mol27.0452 ±
0.0016
67624-57-1*1
Trioxodinitrate anion O=N-[N](=O)[O-]-104.4-108.4± 2.3kJ/mol76.01223 ±
0.00091
194856-62-7*100
Aminomethylium [CH2+]N763.9752.0± 1.8kJ/mol30.04865 ±
0.00085
488821-23-4*0
Methylamidogen C[NH]187.86177.13± 0.61kJ/mol30.04920 ±
0.00085
15622-51-2*0
Aminomethylene [CH][NH2]246.6238.8± 1.6kJ/mol29.04126 ±
0.00083
35430-17-2*0
Methylimidogen C[N]323.8316.0± 1.6kJ/mol29.04126 ±
0.00083
27770-42-9*0
Methyleneamidogen anion C=[N-]193.1189.3± 1.1kJ/mol28.03387 ±
0.00082
28892-56-0*0
Aminomethylidyne [C]N372.2368.7± 1.4kJ/mol28.03332 ±
0.00082
84654-89-7*0
Hydrogen isocyanide [C]=N191.79192.18± 0.47kJ/mol27.02538 ±
0.00081
6914-07-4*0
Cyanide [C-]#N63.95867.244± 0.095kJ/mol26.01799 ±
0.00080
57-12-5*0
Methyleneoxonium [CH2].O154.6146.3± 1.4kJ/mol32.04186 ±
0.00090
177788-17-9*0
Hydroxymethylene [CH]O219.0216.1± 1.1kJ/mol30.02598 ±
0.00087
19710-56-6*3
Hydroxymethylene anion [CH-]O147.4144.4± 1.4kJ/mol30.02653 ±
0.00087
207914-87-2*1
Dinitrogen tetraoxide O=N(=O)N(=O)=O20.1510.86± 0.14kJ/mol92.0111 ±
0.0012
10544-72-6*0
Hydroxymethyliumylidene [C+]O986.13987.77± 0.80kJ/mol29.01749 ±
0.00086
60528-75-8*0
Isoformyl anion [C][O].[H-]55.858.4± 1.8kJ/mol29.01859 ±
0.00086
81747-63-9*1
Propylium CC[CH2+]856.87838.65± 0.83kJ/mol43.0871 ±
0.0024
19252-52-9*0
Cyclopropyl C1C[CH]1302.8290.2± 1.6kJ/mol41.0718 ±
0.0024
2417-82-5*0
Cycloprop-1-enyl C1C=[C]1528.11523.53± 0.78kJ/mol39.0559 ±
0.0024
19528-44-0*0
Cycloprop-2-enyl C1=C[CH]1491.03486.42± 0.77kJ/mol39.0559 ±
0.0024
28933-84-8*0
Cyclopropenylidene C1=C=C1497.07496.12± 0.47kJ/mol38.0480 ±
0.0024
16165-40-5*0
2-Propynylidyne anion C#C[C-]539.97544.82± 0.84kJ/mol37.0406 ±
0.0024
82893-67-2*0
Cyclopropynyl [CH]1C#C1710.7714.8± 1.1kJ/mol37.0400 ±
0.0024
119178-99-3*0
n-Butyl CCC[CH2]101.4878.25± 0.98kJ/mol57.1143 ±
0.0033
2492-36-6*0
Methylcyclopropane CC1CC147.524.3± 1.3kJ/mol56.1063 ±
0.0032
594-11-6*0
Cyclobutene C1CC=C1176.79159.74± 0.93kJ/mol54.0904 ±
0.0032
822-35-5*0
Oxygen cation monohydrate [H]O[H][O+]1153.21147.7± 3.3kJ/mol34.01413 ±
0.00062
*31748-17-1*0
Oxygen anion monohydrate [H]O[H][O-]-239.1-244.3± 3.0kJ/mol34.01523 ±
0.00062
31748-17-1*0
Vinyl alcohol cation C=C[OH+]787.30776.18± 0.99kJ/mol44.0520 ±
0.0017
57239-63-1*1
Vinoxy cation [CH2+]C=O1020.21013.2± 1.6kJ/mol43.0441 ±
0.0016
*35731-40-9*1
Vinoxide [CH2-]C=O-153.55-160.60± 0.77kJ/mol43.0452 ±
0.0016
35731-40-9*0
Acetic acid CC(=O)O-485.18± 0.23kJ/mol60.0520 ±
0.0017
64-19-7*800
Ketene C=C=O-45.45-48.57± 0.13kJ/mol42.0367 ±
0.0016
463-51-4*2
COC vdW [C]=O.[C]589.8598.5± 1.8kJ/mol40.0208 ±
0.0016
*12071-24-8*1
Oxirene C1=CO1390.8386.6± 2.7kJ/mol42.0367 ±
0.0016
157-18-6*12
Methylperoxy anion CO[O-]-89.79-99.94± 0.67kJ/mol47.0339 ±
0.0010
35683-44-4*0
Formyloxoniumylidene C(=O)[O+]1016.91013.5± 1.3kJ/mol45.0169 ±
0.0010
54375-27-8*0
Dioxymethylene [CH]O[O]363.6361.2± 2.6kJ/mol45.0174 ±
0.0010
438586-67-5*1
Trioxidaniumyl O[O+]O927.1917.8± 1.3kJ/mol50.01353 ±
0.00091
161321-37-5*2
Cyanic acid OC#N-12.21-14.92± 0.49kJ/mol43.02478 ±
0.00086
420-05-3*0
Fulminic acid O[N+]#[C-]235.37233.67± 0.48kJ/mol43.02478 ±
0.00086
506-85-4*0
Isocyanate [N-]=C=O-221.11-221.33± 0.54kJ/mol42.01739 ±
0.00086
71000-82-3*0
Nitrosomethylidyne [C]N=O389.4390.7± 1.5kJ/mol42.01684 ±
0.00086
82267-15-0*0
Oxazirinyl [C]1=NO1449.9450.7± 1.5kJ/mol42.01684 ±
0.00086
228850-18-8*0
Dimethylamine CNC5.91-15.99± 0.67kJ/mol45.0837 ±
0.0017
124-40-3*0
Trimethylamine CN(C)C4.47-24.08± 0.63kJ/mol59.1103 ±
0.0025
75-50-3*0
Isocyanogen [C-]#[N+]C#N410.7413.1± 1.6kJ/mol52.0349 ±
0.0016
83951-85-3*0
Diisocyanogen [C-]#[N+][N+]#[C-]610.1613.0± 1.7kJ/mol52.0349 ±
0.0016
78800-21-2*0
Fluorosyl ion O=[F+]1342.621342.57± 0.78kJ/mol34.99725 ±
0.00030
12763-67-6*0
Cyanoamidogen [NH]C#N324.7322.3± 1.7kJ/mol41.03212 ±
0.00082
12347-01-2*0
Oxywater [OH2][O]65.058.5± 1.2kJ/mol34.01468 ±
0.00062
171363-09-0*0
Bromodichloromethane C(Cl)(Cl)Br-38.6-50.3± 1.3kJ/mol163.8280 ±
0.0022
75-27-4*0
Chlorous acid OCl=O25.6720.61± 0.67kJ/mol68.4594 ±
0.0011
13898-47-0*0
Difluorodibromomethane C(F)(F)(Br)Br-366.7-384.4± 1.4kJ/mol209.8155 ±
0.0022
75-61-6*0
Dichlorodibromomethane C(Cl)(Cl)(Br)Br19.63.9± 1.5kJ/mol242.7241 ±
0.0028
594-18-3*0
Bromodifluoromethane C(F)(F)Br-410.92-424.11± 0.49kJ/mol130.9194 ±
0.0013
1511-62-2*0
1,2-Difluoroethane C(F)CF-434.51-447.94± 0.86kJ/mol66.0500 ±
0.0016
624-72-6*0
2-Hydrotrioxy anion [O][OH][O-]27.621.9± 1.2kJ/mol49.00669 ±
0.00090
*89965-38-8*0
1,2-Difluoroacetylene FC#CF2.455.27± 0.65kJ/mol62.0182 ±
0.0016
689-99-6*0
Fluoro(fluorooxy)methylene F[C]OF-38.9-40.4± 1.9kJ/mol66.00691 ±
0.00085
479587-30-9*1
Chloroformyl Cl[C]=O-21.93-20.54± 0.49kJ/mol63.4628 ±
0.0012
2602-42-8*0
Phenylium c1cccc[c+]11251.61239.4± 3.3kJ/mol77.1034 ±
0.0048
17333-73-2*1
Chlorobenzene cation c1ccc(cc1)[Cl+]942.47928.55± 0.61kJ/mol112.5561 ±
0.0049
55450-32-3*0
Chlorobenzene c1ccc(cc1)Cl11.22± 0.59kJ/mol112.5566 ±
0.0049
108-90-7*500
Bromobenzene cation c1ccc(cc1)[Br+]994.7973.3± 1.3kJ/mol157.0074 ±
0.0049
55450-33-4*0
Iodobenzene c1ccc(cc1)I112.7112.8± 1.1kJ/mol204.0084 ±
0.0048
591-50-4*500
2-Hydrotrioxy cation [O][OH][O+]1297.81291.1± 1.3kJ/mol49.00559 ±
0.00090
*74241-49-9*0
Methyl nitrite CON=O-55.46-66.13± 0.46kJ/mol61.0401 ±
0.0010
624-91-9*0
1,2-Dichloroethane C(Cl)CCl-118.24-130.18± 0.59kJ/mol98.9586 ±
0.0024
107-06-2*0
Carbon atom anion [C-]589.624594.771± 0.050kJ/mol12.01125 ±
0.00080
14337-00-9*0
Chloride [Cl-]-166.994± 0.023kJ/mol35.45325 ±
0.00090
16887-00-6*800
Dioxymethylidyne [C]O[O]298.6299.9± 1.5kJ/mol44.00950 ±
0.00100
791121-04-5*0
Oxadiazirine N1=NO1352.1350.3± 1.4kJ/mol44.01288 ±
0.00033
227934-45-4*0
2-Cyclopropyn-1-ylidene C1=C=C=1899.2906.1± 1.5kJ/mol36.0321 ±
0.0024
102508-15-6*1
Propynylidyne cation [C+]1=C=C=11948.31956.2± 2.0kJ/mol36.0316 ±
0.0024
154702-35-9*0
Ethylene cation C=[CH2+]1075.281068.07± 0.13kJ/mol28.0526 ±
0.0016
34470-02-5*0
Bifluoride F[H][F-]-709.1-713.0± 1.8kJ/mol39.005295 ±
0.000070
18130-74-0*0
NON [N]O[N]544.7541.5± 1.5kJ/mol44.01288 ±
0.00033
227934-46-5*0
Iminomethyl anion [CH-]=N238.9235.1± 1.9kJ/mol28.03387 ±
0.00082
90623-30-6*1
Isoformyl anion [C][O].[H-]267.4268.0± 1.6kJ/mol29.01859 ±
0.00086
81747-63-9*2
2-Propynylium [CH2+]C#C1193.471190.66± 0.38kJ/mol39.0554 ±
0.0024
21540-27-2*0
2-Cyclopropen-1-ylium-1-yl C1=[C+]=C11382.01381.0± 1.2kJ/mol38.0474 ±
0.0024
85398-75-0*0
Propynylidene [CH]=C=[CH]597.6599.3± 1.2kJ/mol38.0480 ±
0.0024
67152-18-5*3
Propenediylidene [CH][CH][C]796.2797.4± 1.3kJ/mol38.0480 ±
0.0024
60731-11-5*0
Dioxygen anion O=[O-]-43.38-42.74± 0.17kJ/mol31.99935 ±
0.00060
11062-77-4*0
Trifluoromethide [C-](F)(F)F-637.7-639.6± 1.6kJ/mol69.00646 ±
0.00080
54128-17-5*0
Hydrogen fluoride F-321.07± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*902
Cyclopentene C1CC=CC158.1233.85± 0.45kJ/mol68.1170 ±
0.0040
142-29-0*0
Ethyloxoniumyl CC[OH+]784.1766.9± 1.5kJ/mol46.0679 ±
0.0017
34480-55-2*0
1-Hydroxyethylium C[CH+]O609.14594.72± 0.39kJ/mol45.0600 ±
0.0017
18682-96-7*0
Acetaldehyde cation CC=[O+]832.02822.04± 0.29kJ/mol44.0520 ±
0.0017
36505-03-0*0
Oxiranylium C1[CH+]O11233.71226.7± 1.8kJ/mol43.0441 ±
0.0016
57789-76-1*1
Oxiranyl anion C1[CH-]O1121.4113.3± 1.6kJ/mol43.0452 ±
0.0016
72722-59-9*0
Dibromine monoxide BrOBr120.9104.4± 1.3kJ/mol175.8074 ±
0.0020
21308-80-5*0
Fluorochlorate [Cl-]F-255.99-255.39± 0.80kJ/mol54.45165 ±
0.00090
12272-56-9*0
Ethynol anion [CH-]=C=O-48.62-47.37± 0.87kJ/mol41.0293 ±
0.0016
64066-01-9*0
Dicarbon monoxide anion [C-]=C=O153.8157.5± 1.2kJ/mol40.0213 ±
0.0016
87191-88-6*0
Dicarbon monoxide cation [C+]=C=O1433.51438.5± 1.8kJ/mol40.0203 ±
0.0016
12287-08-0*0
Hydroxyimidogen [N]O217.45214.57± 0.87kJ/mol31.01408 ±
0.00032
35337-59-8*0
COC vdW [C]=O.[C]727.2735.5± 1.7kJ/mol40.0208 ±
0.0016
*12071-24-8*2
C=O-C cation [C]=[O+][C]1576.21583.3± 2.3kJ/mol40.0203 ±
0.0016
83483-98-1*1
C=O=C anion [C-]=[O+]=[C-]551.0554.7± 2.1kJ/mol40.0213 ±
0.0016
*87191-88-6*0
Aminylium [NH2+]1266.551264.47± 0.12kJ/mol16.02207 ±
0.00016
15194-15-7*0
Formic acid cation [CH+](=O)O723.8716.7± 1.1kJ/mol46.0248 ±
0.0010
50614-05-6*2
Formic acid anion [CH-](=O)O-255.6-261.8± 1.7kJ/mol46.0259 ±
0.0010
19066-82-1*1
Nitrous acid N(=O)O-71.37-77.72± 0.29kJ/mol47.01348 ±
0.00061
7782-77-6*2
Peroxyhypochlorous acid OOCl3.86-1.42± 0.99kJ/mol68.4594 ±
0.0011
67952-07-2*0
OH-CO vdW complex [O][H].[C]#O-80.30-77.41± 0.96kJ/mol45.0174 ±
0.0010
*2564-85-4*100
CO-HO vdW complex [O][H].O#[C]-77.6-73.6± 1.8kJ/mol45.0174 ±
0.0010
*2564-84-3*100
H-CO2 vdW complex [H].O=C=O-179.3-178.3± 2.2kJ/mol45.0174 ±
0.0010
*2564-83-2*100
Azidonitrene [N]=NN=[N]692.0687.4± 1.4kJ/mol56.02696 ±
0.00028
147363-92-6*2
Isocyanic acid cation [NH+]=C=O1003.031000.37± 0.51kJ/mol43.02423 ±
0.00086
444010-28-0*0
Isofulminic acid cation C#[N+][O]1215.81213.0± 1.3kJ/mol43.02423 ±
0.00086
114766-65-3*0
Acetic acid CC(=O)O-484.91± 0.23kJ/mol60.0520 ±
0.0017
64-19-7*840
Acetyl chloride CC(=O)Cl-272.21± 0.33kJ/mol78.4973 ±
0.0019
75-36-5*500
Chlorosyl ion [Cl+]=O1150.691150.53± 0.66kJ/mol51.45155 ±
0.00095
12301-79-0*0
(Formyloxy)methyl O=CO[CH2]-148.7-156.8± 1.5kJ/mol59.0440 ±
0.0017
3122-12-1*1
Glyoxal C(=O)C=O-206.99-212.63± 0.52kJ/mol58.0361 ±
0.0017
107-22-2*1
Diazoethenylidene [N-]=[N+]=C=[C]657.0659.6± 3.0kJ/mol52.0349 ±
0.0016
130760-10-0*0
Isocyanomethylidyne [C][N+]#[C-]671.3675.7± 3.6kJ/mol38.0281 ±
0.0016
53590-27-5*0
Diazomethyl [CH]=[N]=[N]472.8470.2± 2.0kJ/mol41.03212 ±
0.00082
20813-32-5*0
Isocyanoamidogen [NH][N+]#[C-]492.7490.7± 2.0kJ/mol41.03212 ±
0.00082
947408-73-3*0
Tetrachloromethane C(Cl)(Cl)(Cl)Cl-109.53-128.94± 0.65kJ/mol153.8215 ±
0.0037
56-23-5*500
Dioxygenyl ion monohydrate