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.
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
DihydrogenH2 (g)[H][H]00exact2.01588 ±
0.00014
1333-74-0*0
HeliumHe (g)[He]00exact4.0026020 ±
0.0000020
7440-59-7*0
Carbon atomC (graphite)[C]00exact12.01070 ±
0.00080
7440-44-0*500
DinitrogenN2 (g)N#N00exact28.01348 ±
0.00014
7727-37-9*0
DioxygenO2 (g)O=O00exact31.99880 ±
0.00060
7782-44-7*0
DifluorineF2 (g)FF00exact37.9968064 ±
0.0000010
7782-41-4*0
NeonNe (g)[Ne]00exact20.17970 ±
0.00060
7440-01-9*0
DichlorineCl2 (g)ClCl00exact70.9054 ±
0.0018
7782-50-5*0
ArgonAr (g)[Ar]00exact39.94800 ±
0.00100
7440-37-1*0
DibromineBr2 (cr,l)BrBr00exact159.8080 ±
0.0020
7726-95-6*500
KryptonKr (g)[Kr]00exact83.8000 ±
0.1000
7439-90-9*0
DiiodineI2 (cr,l)II00exact253.808940 ±
0.000060
7553-56-2*500
XenonXe (g)[Xe]00exact131.2900 ±
0.0200
7440-63-3*0
Deuterium moleculeD2 (g)[2H][2H]00exact4.02820355600 ±
0.00000000080
7782-39-0*0
Hydrogen atomH (g)[H]216.034217.998± 0.000kJ/mol1.007940 ±
0.000070
12385-13-6*0
Carbon atomC (g)[C]711.401716.886± 0.050kJ/mol12.01070 ±
0.00080
7440-44-0*0
Oxygen atomO (g)[O]246.844249.229± 0.0021kJ/mol15.99940 ±
0.00030
17778-80-2*0
Nitrogen atomN (g)[N]470.577472.440± 0.024kJ/mol14.006740 ±
0.000070
17778-88-0*0
Carbon dioxideCO2 (g)C(=O)=O-393.109-393.475± 0.015kJ/mol44.00950 ±
0.00100
124-38-9*0
Fluorine atomF (g)[F]77.26379.369± 0.048kJ/mol18.99840320 ±
0.00000050
14762-94-8*0
MethaneCH4 (g)C-66.550-74.520± 0.057kJ/mol16.04246 ±
0.00085
74-82-8*0
WaterH2O (cr,l)O-286.300-285.828± 0.027kJ/mol18.01528 ±
0.00033
7732-18-5*500
WaterH2O (g)O-238.931-241.834± 0.027kJ/mol18.01528 ±
0.00033
7732-18-5*0
Chlorine atomCl (g)[Cl]119.621121.302± 0.0011kJ/mol35.45270 ±
0.00090
22537-15-1*0
Bromine atomBr (g)[Br]117.917111.854± 0.056kJ/mol79.90400 ±
0.00100
10097-32-2*0
EthaneC2H6 (g)CC-68.29-83.91± 0.14kJ/mol30.0690 ±
0.0017
74-84-0*0
HydronH+ (g)[H+]1528.0841530.047± 0.000kJ/mol1.007391 ±
0.000070
12408-02-5*0
HydroxylOH (g)[OH]37.25037.490± 0.027kJ/mol17.00734 ±
0.00031
3352-57-6*0
EthyleneC2H4 (g)C=C60.9652.45± 0.13kJ/mol28.0532 ±
0.0016
74-85-1*0
Carbon monoxideCO (g)[C-]#[O+]-113.803-110.523± 0.026kJ/mol28.01010 ±
0.00085
630-08-0*0
Hydrogen chlorideHCl (g)Cl-91.989-92.173± 0.0062kJ/mol36.46064 ±
0.00090
7647-01-0*0
MethylCH3 (g)[CH3]149.788146.374± 0.080kJ/mol15.03452 ±
0.00083
2229-07-4*0
Hydrogen bromideHBr (g)Br-27.81-35.66± 0.16kJ/mol80.9119 ±
0.0010
10035-10-6*0
MethanolCH3OH (g)CO-189.83-200.71± 0.16kJ/mol32.04186 ±
0.00090
67-56-1*0
Hydrogen fluorideHF (g)F-272.668-272.715± 0.049kJ/mol20.006343 ±
0.000070
7664-39-3*0
Iodine atomI (g)[I]107.157106.757± 0.0021kJ/mol126.904470 ±
0.000030
14362-44-8*0
FormaldehydeH2CO (g)C=O-105.349-109.188± 0.099kJ/mol30.02598 ±
0.00087
50-00-0*0
AcetyleneHCCH (g)C#C228.84228.28± 0.14kJ/mol26.0373 ±
0.0016
74-86-2*0
Nitric oxideNO (g)[N]=O90.61791.121± 0.065kJ/mol30.00614 ±
0.00031
10102-43-9*0
EthanolCH3CH2OH (g)CCO-216.89-234.61± 0.21kJ/mol46.0684 ±
0.0017
64-17-5*0
Methyl chlorideCH3Cl (g)CCl-74.25-82.18± 0.25kJ/mol50.4872 ±
0.0012
74-87-3*0
EthylCH3CH2 (g)C[CH2]130.92119.86± 0.28kJ/mol29.0611 ±
0.0016
2025-56-1*0
PropaneCH3CH2CH3 (g)CCC-82.75-105.03± 0.19kJ/mol44.0956 ±
0.0025
74-98-6*0
Nitrogen dioxideONO (g)O=[N]=O36.85634.049± 0.065kJ/mol46.00554 ±
0.00060
10102-44-0*0
AmmoniaNH3 (g)N-38.562-45.554± 0.030kJ/mol17.03056 ±
0.00022
7664-41-7*0
Hydrogen cyanideHCN (g)C#N129.662129.277± 0.091kJ/mol27.02538 ±
0.00081
74-90-8*0
Hydrogen iodideHI (g)I28.64126.466± 0.036kJ/mol127.912410 ±
0.000076
10034-85-2*0
Methyl fluorideCH3F (g)CF-227.77-235.80± 0.23kJ/mol34.03292 ±
0.00083
593-53-3*0
Methyl bromideCH3Br (g)CBr-20.36-35.76± 0.27kJ/mol94.9385 ±
0.0013
74-83-9*0
Hydrogen peroxideH2O2 (g)OO-129.472-135.457± 0.064kJ/mol34.01468 ±
0.00062
7722-84-1*0
Hydroxyde[OH]- (g)[OH-]-139.091-139.058± 0.027kJ/mol17.00789 ±
0.00031
14280-30-9*0
DioxidanylHO2 (g)O[O]15.1612.26± 0.16kJ/mol33.00674 ±
0.00060
3170-83-0*0
PropyleneCH3CHCH2 (g)CC=C35.0019.99± 0.22kJ/mol42.0797 ±
0.0024
115-07-1*0
TetrafluoromethaneCF4 (g)C(F)(F)(F)F-927.41-933.39± 0.25kJ/mol88.00431 ±
0.00080
75-73-0*0
FluorideF- (g)[F-]-250.901-249.117± 0.048kJ/mol18.99895178 ±
0.00000050
16984-48-8*0
Hypochlorous acidHOCl (g)OCl-73.867-76.807± 0.028kJ/mol52.46004 ±
0.00095
7790-92-3*0
AcetaldehydeCH3CHO (g)CC=O-154.97-165.45± 0.28kJ/mol44.0526 ±
0.0017
75-07-0*0
BenzeneC6H6 (g)c1ccccc1100.6283.11± 0.25kJ/mol78.1118 ±
0.0048
71-43-2*0
DibromineBr2 (g)BrBr45.6830.89± 0.11kJ/mol159.8080 ±
0.0020
7726-95-6*0
DiiodineI2 (g)II65.49762.417± 0.0041kJ/mol253.808940 ±
0.000060
7553-56-2*0
MethylidyneCH (g)[CH]592.78596.12± 0.11kJ/mol13.01864 ±
0.00080
3315-37-5*0
Formic acidHC(O)OH (g, syn)C(=O)O-371.12-378.45± 0.22kJ/mol46.0254 ±
0.0010
64-18-6*1
FluoroformCF3H (g)C(F)(F)F-688.92-695.87± 0.43kJ/mol70.01385 ±
0.00080
75-46-7*0
Oxonium[H3O]+ (g)[OH3+]605.85599.10± 0.17kJ/mol19.02267 ±
0.00037
13968-08-6*0
Hypoflorous acidHOF (g)OF-84.37-87.27± 0.19kJ/mol36.00574 ±
0.00031
14034-79-8*0
Hypobromous acidHOBr (g)OBr-51.38-61.85± 0.57kJ/mol96.9113 ±
0.0010
13517-11-8*0
Methyl iodideCH3I (g)CI24.4814.94± 0.17kJ/mol141.93899 ±
0.00083
74-88-4*0
TrifluoromethylCF3 (g)[C](F)(F)F-465.15-467.94± 0.49kJ/mol69.00591 ±
0.00080
2264-21-3*0
PropyneCH3CCH (g)CC#C192.80185.74± 0.25kJ/mol40.0639 ±
0.0024
74-99-7*0
MethyleneCH2 (g, triplet)[CH2]390.96391.52± 0.12kJ/mol14.02658 ±
0.00081
2465-56-7*1
MethyleneCH2 (g, singlet)[CH2]428.62429.03± 0.13kJ/mol14.02658 ±
0.00081
2465-56-7*2
VinylC2H3 (g)C=[CH]301.11296.91± 0.33kJ/mol27.0452 ±
0.0016
2669-89-8*0
KeteneCH2CO (g)C=C=O-45.45-48.57± 0.13kJ/mol42.0367 ±
0.0016
463-51-4*0
TetrachloromethaneCCl4 (g)C(Cl)(Cl)(Cl)Cl-94.27-96.44± 0.64kJ/mol153.8215 ±
0.0037
56-23-5*0
ImidogenNH (g)[NH]358.73358.77± 0.17kJ/mol15.014680 ±
0.000099
13774-92-0*0
AlleneCH2CCH2 (g)C=C=C197.34189.86± 0.26kJ/mol40.0639 ±
0.0024
463-49-0*0
n-ButaneCH3CH2CH2CH3 (g)CCCC-98.63-125.94± 0.27kJ/mol58.1222 ±
0.0033
106-97-8*0
DifluorophosgeneCOF2 (g)C(F)(F)=O-603.50-606.59± 0.46kJ/mol66.00691 ±
0.00085
353-50-4*0
BromideBr- (g)[Br-]-206.620-212.683± 0.056kJ/mol79.90455 ±
0.00100
24959-67-9*0
Oxomethylium[HCO]+ (g)[CH+]=O827.802827.217± 0.099kJ/mol29.01749 ±
0.00086
17030-74-9*0
IodideI- (g)[I-]-187.995-188.396± 0.0021kJ/mol126.905019 ±
0.000030
20461-54-5*0
Nitric acidHNO3 (g)O[N+](=O)[O-]-124.48-134.20± 0.18kJ/mol63.01288 ±
0.00091
7697-37-2*0
FormylHCO (g)[CH]=O41.42641.803± 0.099kJ/mol29.01804 ±
0.00086
2597-44-6*0
HydroxymethylCH2OH (g)[CH2]O-10.25-16.56± 0.33kJ/mol31.03392 ±
0.00088
2597-43-5*0
Chloroxyl radicalClO (g)Cl=O101.124101.715± 0.035kJ/mol51.45210 ±
0.00095
14989-30-1*0
Methylium[CH3]+ (g)[CH3+]1099.2431095.299± 0.078kJ/mol15.03397 ±
0.00083
14531-53-4*0
OzoneOOO (g)O=[O+][O-]144.396141.733± 0.039kJ/mol47.99820 ±
0.00090
10028-15-6*0
Cyanogen chlorideClCN (g)ClC#N135.03135.72± 0.44kJ/mol61.4701 ±
0.0012
506-77-4*0
PhenylC6H5 (g)c1cccc[c]1350.37337.08± 0.57kJ/mol77.1039 ±
0.0048
2396-01-2*0
Ethylium[CH3CH2]+ (g)[CH2+]1[CH2][H]1915.03902.95± 0.32kJ/mol29.0606 ±
0.0016
14936-94-8*0
Methoxide[CH3O]- (g)C[O-]-122.54-130.27± 0.35kJ/mol31.03447 ±
0.00088
3315-60-4*0
MethoxyCH3O (g)C[O]28.9021.53± 0.34kJ/mol31.03392 ±
0.00088
2143-68-2*0
TetrabromomethaneCBr4 (g)C(Br)(Br)(Br)Br131.5101.8± 1.1kJ/mol331.6267 ±
0.0041
558-13-4*0
Oxygen atom anionO- (g)[O-]105.868108.097± 0.0021kJ/mol15.99995 ±
0.00030
14337-01-0*0
NitrilomethylCN (g)[C]#N436.73440.01± 0.15kJ/mol26.01744 ±
0.00080
2074-87-5*0
Cyanogen fluorideFCN (g)FC#N8.889.21± 0.68kJ/mol45.01584 ±
0.00080
1495-50-7*0
ChlorideCl- (g)[Cl-]-228.953-227.346± 0.0021kJ/mol35.45325 ±
0.00090
16887-00-6*0
Trihydrogen cation[H3]+ (g)[H]1[H+][H]11110.3041106.696± 0.013kJ/mol3.02327 ±
0.00021
28132-48-1*0
Cyanogen bromideBrCN (g)BrC#N187.41180.62± 0.73kJ/mol105.9214 ±
0.0013
506-68-3*0
Methylene fluorideCH2F2 (g)C(F)F-443.16-450.73± 0.36kJ/mol52.02339 ±
0.00081
75-10-5*0
2-PropynylCH2CCH (g)[CH2]C#C354.00351.44± 0.38kJ/mol39.0559 ±
0.0024
2932-78-7*0
PropynylideneHCCCH (g, triplet)[CH]=C=[CH]543.38546.38± 0.63kJ/mol38.0480 ±
0.0024
67152-18-5*1
DioxymethylCH2OO (g)[O-]\[O+]=C112.43105.42± 0.61kJ/mol46.0254 ±
0.0010
56077-92-0*0
Oxygen atom cationO+ (g)[O+]1560.7861562.644± 0.0021kJ/mol15.99885 ±
0.00030
14581-93-2*0
Hypochlorite[ClO]- (g)[Cl-]=O-118.60-118.33± 0.13kJ/mol51.45265 ±
0.00095
14380-61-1*0
1,2-Propadiene-1,3-diylideneCCC (g)[C]=C=[C]814.52823.48± 0.54kJ/mol36.0321 ±
0.0024
12075-35-3*0
AllylCH2CHCH2 (g)C=C[CH2]179.56167.84± 0.54kJ/mol41.0718 ±
0.0024
1981-80-2*0
1-HydroxyethylCH3CHOH (g, gauche-anti)C[CH]O-42.16-55.59± 0.61kJ/mol45.0605 ±
0.0017
2348-46-1*1
2-HydroxyethylCH2CH2OH (g, gauche-syn)[CH2]CO-12.79-26.06± 0.61kJ/mol45.0605 ±
0.0017
4422-54-2*1
Ethyl chlorideCH3CH2Cl (g)CCCl-96.76-111.35± 0.20kJ/mol64.5138 ±
0.0019
75-00-3*0
HydrideH- (g)[H-]143.264145.228± 0.000kJ/mol1.008489 ±
0.000070
12184-88-2*0
Oxygen difluorideFOF (g)FOF26.9424.69± 0.25kJ/mol53.99621 ±
0.00030
7783-41-7*0
MethylenimineH2CNH (g)C=N96.5388.62± 0.63kJ/mol29.04126 ±
0.00083
2053-29-4*0
MethylamineCH3NH2 (g)CN-5.97-21.05± 0.46kJ/mol31.05714 ±
0.00088
74-89-5*0
Nitrite[ONO]- (g)O=[N-]=O-182.69-185.50± 0.45kJ/mol46.00609 ±
0.00060
14797-65-0*0
Nitrosyl hydrideHNO (g)N=O109.93106.96± 0.11kJ/mol31.01408 ±
0.00032
14332-28-6*0
Nitrous acidHONO (g, trans)N(=O)O-73.018-79.162± 0.079kJ/mol47.01348 ±
0.00061
7782-77-6*1
EthynyleneC2 (g)[C]=[C]820.21828.68± 0.27kJ/mol24.0214 ±
0.0016
12070-15-4*0
EthynylC2H (g)[CH][C]563.87567.99± 0.15kJ/mol25.0293 ±
0.0016
2122-48-7*0
Ethoxide[CH3CH2O]- (g)CC[O-]-164.11-179.05± 0.52kJ/mol45.0610 ±
0.0017
16331-64-9*0
ChloroformCCl3H (g)C(Cl)(Cl)Cl-98.49-103.39± 0.64kJ/mol119.3767 ±
0.0028
67-66-3*0
Methylene chlorideCH2Cl2 (g)C(Cl)Cl-87.85-94.71± 0.59kJ/mol84.9320 ±
0.0020
75-09-2*0
TetrafluoroethyleneC2F4 (g)C(=C(F)F)(F)F-671.52-674.93± 0.57kJ/mol100.0150 ±
0.0016
116-14-3*0
Phenylium[C6H5]+ (g)c1cccc[c+]11148.471136.57± 0.89kJ/mol77.1034 ±
0.0048
17333-73-2*0
Hypoiodous acidHOI (g)OI-56.6-61.3± 2.0kJ/mol143.91181 ±
0.00031
14332-21-9*0
AmidogenNH2 (g)[NH2]188.91186.02± 0.12kJ/mol16.02262 ±
0.00016
13770-40-6*0
Methanium[CH5]+ (g)[CH5+]922.07911.83± 0.44kJ/mol17.04985 ±
0.00087
15135-49-6*0
HydroxylamineNH2OH (g, trans)NO-33.12-43.50± 0.49kJ/mol33.02996 ±
0.00037
7803-49-8*1
OxiraneO(CH2CH2) (g)C1OC1-40.00-52.54± 0.38kJ/mol44.0526 ±
0.0017
75-21-8*0
Methyl hydroperoxideCH3OOH (g)COO-114.90-127.72± 0.74kJ/mol48.0413 ±
0.0010
3031-73-0*0
HydroxyformylHOCO (g, trans)O[C]=O-180.96-183.93± 0.48kJ/mol45.0174 ±
0.0010
2564-86-5*1
Isocyanic acidHNCO (g)N=C=O-115.85-118.85± 0.31kJ/mol43.02478 ±
0.00086
75-13-8*0
TetraiodomethaneCI4 (g)C(I)(I)(I)I340.8335.7± 1.3kJ/mol519.62858 ±
0.00081
507-25-5*0
ChlorotrifluoromethaneCF3Cl (g)C(F)(F)(F)Cl-704.97-710.08± 0.72kJ/mol104.4586 ±
0.0012
75-72-9*0
BromotrifluoromethaneCF3Br (g)C(F)(F)(F)Br-639.45-651.57± 0.50kJ/mol148.9099 ±
0.0013
75-63-8*0
FluoromethylidyneCF (g)[C]F243.11246.71± 0.13kJ/mol31.00910 ±
0.00080
3889-75-6*0
Fluoroxyl radicalFO (g)[O]F110.26110.88± 0.15kJ/mol34.99780 ±
0.00030
12061-70-0*0
Dioxygen cation[O2]+ (g)O=[O+]1164.5851165.221± 0.0092kJ/mol31.99825 ±
0.00060
12185-07-8*0
MethylidyneCH (g, quartet)[CH]664.55667.88± 0.59kJ/mol13.01864 ±
0.00080
3315-37-5*2
EthoxyCH3CH2O (g, X 2A")CC[O]1.16-12.74± 0.51kJ/mol45.0605 ±
0.0017
2154-50-9*51
CyanatoNCO (g)N#C[O]127.02127.49± 0.35kJ/mol42.01684 ±
0.00086
22400-26-6*0
PhosgeneCOCl2 (g)C(=O)(Cl)Cl-217.43-219.13± 0.27kJ/mol98.9155 ±
0.0020
75-44-5*0
BromoformCBr3H (g)C(Br)(Br)Br74.348.1± 1.3kJ/mol252.7306 ±
0.0031
75-25-2*0
Vinyl chlorideCH2CHCl (g)C=CCl29.5722.10± 0.34kJ/mol62.4979 ±
0.0018
75-01-4*0
AcetoneCH3C(O)CH3 (g)CC(=O)C-199.45-216.14± 0.36kJ/mol58.0791 ±
0.0025
67-64-1*0
Hydrogen fluorideHF (aq)F-334.51± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*800
Hypobromite[BrO]- (g)Br[O-]-96.24-103.73± 0.55kJ/mol95.9039 ±
0.0010
14380-62-2*0
Diazenylium[N2H]+ (g)N#[NH+]1042.781039.17± 0.73kJ/mol29.02087 ±
0.00016
12357-66-3*0
Peroxynitrous acidHOONO (g, cis, cis)OON=O-5.99-14.43± 0.36kJ/mol63.01288 ±
0.00091
14691-52-2*3
Dioxygenyl fluorideFOO (g)FO[O]26.7525.04± 0.27kJ/mol50.99720 ±
0.00060
15499-23-7*0
CyclopropaneCH2(CH2CH2) (g)C1CC170.8053.65± 0.46kJ/mol42.0797 ±
0.0024
75-19-4*0
PropadienylideneCH2CC (g)C=C=[C]554.45555.59± 0.42kJ/mol38.0480 ±
0.0024
60731-10-4*0
AcetylCH3CO (g)C[C]=O-3.31-9.97± 0.37kJ/mol43.0446 ±
0.0016
3170-69-2*0
MethylperoxyCH3OO (g)CO[O]22.2912.54± 0.49kJ/mol47.0333 ±
0.0010
2143-58-0*0
Ethyl fluorideCH3CH2F (g)CCF-257.30-272.16± 0.37kJ/mol48.0595 ±
0.0016
353-36-6*0
Ethyl bromideCH3CH2Br (g)CCBr-41.14-63.09± 0.26kJ/mol108.9651 ±
0.0019
74-96-4*0
Vinyl fluorideCH2CHF (g)C=CF-134.71-142.51± 0.47kJ/mol46.0436 ±
0.0016
75-02-5*0
Vinyl bromideCH2CHBr (g)C=CBr88.8274.01± 0.59kJ/mol106.9492 ±
0.0019
593-60-2*0
2-BromoethanolBrCH2CH2OH (g)BrCCO-196.57-220.63± 0.54kJ/mol124.9645 ±
0.0019
540-51-2*0
FluorobenzeneC6H5F (g)c1ccc(cc1)F-99.29-114.97± 0.83kJ/mol96.1023 ±
0.0048
462-06-6*0
NitromethaneCH3N(O)O (g)C[N+](=O)[O-]-60.86-74.76± 0.47kJ/mol61.0401 ±
0.0010
75-52-5*0
Dioxidanide[HO2]- (g)O[O-]-88.86-91.52± 0.38kJ/mol33.00729 ±
0.00060
14691-59-9*0
Nitrous oxideNNO (g)[N-]=[N+]=O85.99882.568± 0.097kJ/mol44.01288 ±
0.00033
10024-97-2*0
(E)-DiazeneHNNH (g, trans)[H]/N=N/[H]207.35200.20± 0.44kJ/mol30.02936 ±
0.00020
15626-43-4*0
Hydroxyoxomethylium[HOCO]+ (g)O[C+]=O600.76597.68± 0.43kJ/mol45.0169 ±
0.0010
638-71-1*0
Vinylium[C2H3]+ (g)[CH+]1[CH][H]11119.201115.75± 0.57kJ/mol27.0447 ±
0.0016
14604-48-9*0
Hydroxymethylium[CH2OH]+ (g)[CH2+]O717.85709.91± 0.19kJ/mol31.03337 ±
0.00088
18682-95-6*0
CyanogenNCCN (g)N#CC#N308.18310.12± 0.43kJ/mol52.0349 ±
0.0016
460-19-5*0
Cyanogen iodideICN (g)IC#N222.47221.95± 0.99kJ/mol152.92191 ±
0.00080
506-78-5*0
iso-PropylCH3CHCH3 (g)C[CH]C105.2888.68± 0.67kJ/mol43.0877 ±
0.0024
2025-55-0*0
Ethynide[C2H]- (g)[CH][C-]277.42280.83± 0.19kJ/mol25.0299 ±
0.0016
29075-95-4*0
iso-ButaneCH(CH3)3 (g)CC(C)C-106.17-134.78± 0.33kJ/mol58.1222 ±
0.0033
75-28-5*0
n-PentaneCH3CH2CH2CH2CH3 (g)CCCCC-114.47-146.34± 0.31kJ/mol72.1488 ±
0.0041
109-66-0*0
2-ChloroethanolClCH2CH2OH (g)ClCCO-250.03-266.74± 0.61kJ/mol80.5132 ±
0.0019
107-07-3*0
Hypofluorite[FO]- (g)[O-]F-108.90-108.73± 0.48kJ/mol34.99835 ±
0.00030
12763-66-5*0
Hydrogen chlorideHCl (aq, 600 H2O)Cl-166.454± 0.024kJ/mol36.46064 ±
0.00090
7647-01-0*834
Bromoxyl radicalBrO (g)Br[O]131.12123.59± 0.29kJ/mol95.9034 ±
0.0010
15656-19-6*0
HydroxyamidogenHNOH (g, trans)[NH]O101.594.7± 1.0kJ/mol32.02202 ±
0.00034
13940-32-4*1
Nitrate[NO3]- (g)O=[N+]([O-])[O-]-300.25-306.72± 0.61kJ/mol62.00549 ±
0.00090
14797-55-8*0
WaterH2O (l)O-285.828± 0.027kJ/mol18.01528 ±
0.00033
7732-18-5*590
Formyl anion[HCO]- (g)[CH-]=O11.6212.01± 0.43kJ/mol29.01859 ±
0.00086
57340-31-5*0
PropylCH3CH2CH2 (g)CC[CH2]117.92100.81± 0.61kJ/mol43.0877 ±
0.0024
2143-61-5*0
2-PropynylidyneCCCH (g)C#C[C]717.95722.30± 0.81kJ/mol37.0400 ±
0.0024
53590-28-6*0
Dicarbon monoxideCCO (g, singlet)[C]=C=O454.95459.28± 0.88kJ/mol40.0208 ±
0.0016
12071-23-7*2
MethanetetraylbisamidogenNCN (g)[N]=C=[N]450.39450.80± 0.68kJ/mol40.02418 ±
0.00081
2669-76-3*0
Methylene bromideCH2Br2 (g)C(Br)Br24.93.5± 1.1kJ/mol173.8346 ±
0.0022
74-95-3*0
2-FluoroethanolFCH2CH2OH (g)FCCO-406.8-424.0± 1.1kJ/mol64.0589 ±
0.0017
371-62-0*0
Phenide[C6H5]- (g)c1cccc[c-]1244.70231.79± 0.43kJ/mol77.1044 ±
0.0048
30922-78-2*0
BromobenzeneC6H5Br (g)c1ccc(cc1)Br126.5104.5± 1.3kJ/mol157.0079 ±
0.0049
108-86-1*0
Hydrogen bromideHBr (aq)Br-120.80± 0.16kJ/mol80.9119 ±
0.0010
10035-10-6*800
Iodine monochlorideICl (g)ICl19.02417.391± 0.013kJ/mol162.35717 ±
0.00090
7790-99-0*0
IodotrifluoromethaneCF3I (g)C(F)(F)(F)I-583.99-589.87± 0.54kJ/mol195.91038 ±
0.00080
2314-97-8*0
Nitrogen atom cationN+ (g)[N+]1872.9051875.687± 0.024kJ/mol14.006191 ±
0.000070
14158-23-7*0
Azido radicalNNN (g)[N]N=[N]452.24449.65± 0.58kJ/mol42.02022 ±
0.00021
12596-60-0*0
Trinitrogen cation[NNN]+ (g)[N]N=[N+]1519.391516.86± 0.87kJ/mol42.01967 ±
0.00021
12185-03-4*0
Oxonitrate anion[NO]- (g)N#[O-]87.9187.94± 0.12kJ/mol30.00669 ±
0.00031
14967-78-3*0
Carbon monoxide cation[CO]+ (g)[C]#[O+]1238.3071241.586± 0.026kJ/mol28.00955 ±
0.00085
12144-04-6*0
Nitrosyl ion[NO]+ (g)N#[O+]984.485984.479± 0.065kJ/mol30.00559 ±
0.00031
14452-93-8*0
NitroxylH2NO (g)N[O]71.3464.73± 0.85kJ/mol32.02202 ±
0.00034
13408-29-2*0
Hydrazoic acidHNNN (g)N=[N+]=[N-]297.92291.62± 0.48kJ/mol43.02816 ±
0.00022
7782-79-8*0
Ethonium[C2H7]+ (g, bridged C2)[CH3+][H][CH3]874.54858.27± 0.61kJ/mol31.0764 ±
0.0017
24669-33-8*1
Acetylium[CH3CO]+ (g)C[C+]=O667.18660.02± 0.65kJ/mol43.0441 ±
0.0016
15762-07-9*0
HydroxymethyleneHCOH (g, trans)[CH]O112.40108.63± 0.33kJ/mol30.02598 ±
0.00087
19710-56-6*1
Carbonic acidC(O)(OH)2 (g, cis-cis)OC(=O)O-602.78-612.96± 0.79kJ/mol62.0248 ±
0.0012
463-79-6*1
1-ButeneCH2CHCH2CH3 (g)CCC=C20.88-0.08± 0.38kJ/mol56.1063 ±
0.0032
106-98-9*0
n-HexaneCH3CH2CH2CH2CH2CH3 (g)CCCCCC-130.06-166.93± 0.34kJ/mol86.1754 ±
0.0049
110-54-3*0
1-Hydroxyethylium[CH3CHOH]+ (g, anti)C[CH+]O609.14594.72± 0.39kJ/mol45.0600 ±
0.0017
18682-96-7*1
EthoxyCH3CH2O (g, A 2A')CC[O]5.41-9.02± 0.52kJ/mol45.0605 ±
0.0017
2154-50-9*52
Dicarbon monoxideCCO (g, triplet)[C]=C=O376.30380.34± 0.97kJ/mol40.0208 ±
0.0016
12071-23-7*1
Formic acidHC(O)OH (g, anti)C(=O)O-354.76-362.00± 0.38kJ/mol46.0254 ±
0.0010
64-18-6*2
FormyloxidanylHC(O)O (g, 2A1)C(=O)[O]-124.76-126.43± 0.55kJ/mol45.0174 ±
0.0010
16499-21-1*1
Formate[HC(O)O]- (g)C(=O)[O-]-462.11-465.75± 0.55kJ/mol45.0180 ±
0.0010
71-47-6*0
ChlorodifluoromethaneCHClF2 (g)C(F)(F)Cl-476.5-482.6± 1.2kJ/mol86.4681 ±
0.0012
75-45-6*0
FluoromethyleneCHF (g, singlet)[CH]F148.26148.54± 0.44kJ/mol32.01704 ±
0.00080
13453-52-6*2
FluoroformylFCO (g)F[C]=O-176.70-176.12± 0.38kJ/mol47.00850 ±
0.00085
1871-24-5*0
BenzaldehydeC6H5C(O)H (g)c1ccc(cc1)C=O-19.16-36.96± 0.92kJ/mol106.1219 ±
0.0056
100-52-7*0
ChlorobenzeneC6H5Cl (g)c1ccc(cc1)Cl67.1352.18± 0.61kJ/mol112.5566 ±
0.0049
108-90-7*0
Hydrogen chlorideHCl (aq)Cl-166.994± 0.023kJ/mol36.46064 ±
0.00090
7647-01-0*800
Bromonium[HBrH]+ (g)[H][BrH+]925.4914.7± 1.2kJ/mol81.9193 ±
0.0010
36658-54-5*0
Hydrogen peroxide cation[H2O2]+ (g, trans)O[OH+]896.87889.88± 0.57kJ/mol34.01413 ±
0.00062
12325-10-9*1
Amide[NH2]- (g)[NH2+]114.88112.00± 0.33kJ/mol16.02317 ±
0.00016
17655-31-1*0
HydrazineH2NNH2 (g)NN111.8497.68± 0.49kJ/mol32.04524 ±
0.00031
302-01-2*0
Fluoronium[HFH]+ (g)[H][F+][H]774.42771.47± 0.85kJ/mol21.01373 ±
0.00014
12206-67-6*0
Methanide[CH3]- (g)[CH3-]146.05142.61± 0.91kJ/mol15.03507 ±
0.00083
15194-58-8*0
TrioxidaneHOOOH (g, trans)OOO-81.43-90.27± 0.70kJ/mol50.01408 ±
0.00091
14699-99-1*1
EthylideneCH3CH (g, triplet)[CH]C361.45354.45± 0.82kJ/mol28.0532 ±
0.0016
4218-50-2*1
Peroxyformic acidHC(O)OOH (g, cis)C(=O)OO-279.8-289.1± 1.1kJ/mol62.0248 ±
0.0012
107-32-4*1
1-MethylethenylCH3CCH2 (g)C[C]=C262.90252.56± 0.71kJ/mol41.0718 ±
0.0024
15552-77-9*0
IsobuteneCH2C(CH3)2 (g)CC(=C)C3.92-17.15± 0.44kJ/mol56.1063 ±
0.0032
115-11-7*0
trans-2-ButeneCH3CHCHCH3 (g, trans)C/C=C/C9.26-11.30± 0.41kJ/mol56.1063 ±
0.0032
624-64-6*0
cis-2-ButeneCH3CHCHCH3 (g, cis)C/C=C\C13.95-7.32± 0.42kJ/mol56.1063 ±
0.0032
590-18-1*0
1,3-ButadieneCH2CHCHCH2 (g)C=CC=C125.05110.57± 0.42kJ/mol54.0904 ±
0.0032
106-99-0*0
CyclopentaneCH2(CH2CH2CH2CH2) (g)C1CCCC1-45.01-77.58± 0.44kJ/mol70.1329 ±
0.0041
287-92-3*0
1,3-CyclopentadieneCH2(CHCHCHCH) (g)C1C=CC=C1149.88132.76± 0.76kJ/mol66.1011 ±
0.0040
542-92-7*0
1-HydroxyethylCH3CHOH (g, gauche-syn)C[CH]O-40.65-54.12± 0.86kJ/mol45.0605 ±
0.0017
2348-46-1*2
Protonated oxirane[(CH2CH2)OH]+ (g)[OH+]1CC1725.29709.12± 0.64kJ/mol45.0600 ±
0.0017
*38607-31-7*0
OxoethenylHCCO (g)[CH]=C=O176.85177.97± 0.60kJ/mol41.0287 ±
0.0016
51095-15-9*0
MethanediolCH2(OH)2 (g, conrot gauche)C(O)O-379.05-393.25± 0.95kJ/mol48.0413 ±
0.0010
463-57-0*1
Acetyl chlorideCH3C(O)Cl (g)CC(=O)Cl-232.68-241.55± 0.33kJ/mol78.4973 ±
0.0019
75-36-5*0
Methyl formateHC(O)OCH3 (g, syn-staggered)COC=O-344.75-357.80± 0.58kJ/mol60.0520 ±
0.0017
107-31-3*1
Trioxidanide[HOOO]- (g, gauche)OO[O-]-121.0-124.0± 1.4kJ/mol49.00669 ±
0.00090
89965-38-8*2
DifluorodichloromethaneCF2Cl2 (g)C(F)(F)(Cl)Cl-490.69-495.46± 0.97kJ/mol120.9129 ±
0.0020
75-71-8*0
FluorodichloromethaneCHFCl2 (g)C(F)(Cl)Cl-278.9-284.2± 1.2kJ/mol102.9224 ±
0.0020
75-43-4*0
Trifluoromethylium[CF3]+ (g)[C+](F)(F)F409.00405.93± 0.51kJ/mol69.00536 ±
0.00080
18851-76-8*0
Methyl nitriteCH3ONO (g, cis)CON=O-55.46-67.24± 0.46kJ/mol61.0401 ±
0.0010
624-91-9*2
Dichlorine monoxideClOCl (g)ClOCl79.7677.95± 0.36kJ/mol86.9048 ±
0.0018
7791-21-1*0
Chlorine peroxideClOOCl (g)ClOOCl134.51131.28± 0.56kJ/mol102.9042 ±
0.0019
12292-23-8*0
Iodoxyl radicalIO (g)I[O]127.0125.0± 1.1kJ/mol142.90387 ±
0.00030
14696-98-1*0
Dinitrogen cation[N2]+ (g)N#[N+]1503.3111503.312± 0.0011kJ/mol28.01293 ±
0.00014
13966-04-6*0
Carbon dioxide cation[CO2]+ (g)[C+](=O)=O936.092936.927± 0.017kJ/mol44.00895 ±
0.00100
12181-61-2*0
Nitrogen sesquioxideONNO2 (g)O=N-[N](=O)[O]90.7286.15± 0.15kJ/mol76.01168 ±
0.00091
10544-73-7*0
Ammonium[NH4]+ (g)[NH4+]643.05631.74± 0.21kJ/mol18.03795 ±
0.00029
14798-03-9*0
Chloronium[HClH]+ (g)[H][ClH+]881.29878.19± 0.97kJ/mol37.46803 ±
0.00091
36658-55-6*0
Ammonium[NH4]+ (aq)[NH4+]-133.077± 0.056kJ/mol18.03795 ±
0.00029
14798-03-9*800
HydrazylN2H3 (g)N[NH]235.28224.62± 0.83kJ/mol31.03730 ±
0.00025
13598-46-4*0
Dioxygen difluorideFOOF (g)FOOF33.6629.93± 0.50kJ/mol69.99561 ±
0.00060
7783-44-0*0
EthylideneCH3CH (g, singlet)[CH]C373.93366.70± 0.86kJ/mol28.0532 ±
0.0016
4218-50-2*2
Hydrogen isocyanide cation[HNC]+ (g)[C+]=N1352.71352.7± 1.2kJ/mol27.02483 ±
0.00081
74158-11-5*0
Propargylenide[HCCCH]- (g, transoid 2B)C#C[CH-]434.6437.1± 1.1kJ/mol38.0485 ±
0.0024
82906-05-6*1
2-HydroxyethylCH2CH2OH (g, gauche-anti)[CH2]CO-10.04-22.67± 0.85kJ/mol45.0605 ±
0.0017
4422-54-2*2
Dimethyl etherCH3OCH3 (g)COC-166.50-184.01± 0.44kJ/mol46.0684 ±
0.0017
115-10-6*0
MethanediolCH2(OH)2 (g, disrot gauche)C(O)O-368.51-381.66± 0.99kJ/mol48.0413 ±
0.0010
463-57-0*2
Dichloride[Cl2]- (g)Cl[Cl-]-230.4-229.3± 1.4kJ/mol70.9059 ±
0.0018
12595-89-0*0
Chlorine dioxideOClO (g)O=Cl=O101.0398.56± 0.30kJ/mol67.4515 ±
0.0011
10049-04-4*0
Hydroperoxonium[H2OOH]+ (g, trans)[OH2+]O738.17727.91± 0.98kJ/mol35.02207 ±
0.00064
70850-26-9*1
Formyl fluorideHFCO (g)FC=O-378.72-382.31± 0.33kJ/mol48.01644 ±
0.00086
1493-02-3*0
Nitric acidHNO3 (aq)O[N+](=O)[O-]-206.63± 0.18kJ/mol63.01288 ±
0.00091
7697-37-2*800
Hydrogen fluorideHF (aq, 20 H2O)F-321.06± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*818
Oxoammoniumyl[HNO]+ (g)[NH+]=O1092.621089.69± 0.67kJ/mol31.01353 ±
0.00032
63559-87-5*0
Difluoride[F2]- (g)F[F-]-290.8-290.0± 1.4kJ/mol37.9973550 ±
0.0000010
12184-85-9*0
Peroxynitrous acidHOONO (g, trans, perp)OON=O7.670.59± 0.40kJ/mol63.01288 ±
0.00091
14691-52-2*1
VinylideneCCH2 (g)[C]=C411.29412.20± 0.33kJ/mol26.0373 ±
0.0016
2143-69-3*0
EthylidyneCH3C (g)[C]C508.58504.88± 0.87kJ/mol27.0452 ±
0.0016
67624-57-1*0
EthylidyneCH3C (g, quartet)[C]C640.6636.1± 1.2kJ/mol27.0452 ±
0.0016
67624-57-1*2
Iminomethyl cation[HCNH]+ (g)[NH+]#C953.3949.3± 1.5kJ/mol28.03277 ±
0.00082
196216-36-1*0
Chlorine superoxideClOO (g)ClO[O]103.82102.73± 0.37kJ/mol67.4515 ±
0.0011
17376-09-9*0
Water dimer(H2O)2 (g)O.O-491.082-499.121± 0.053kJ/mol36.03056 ±
0.00066
25655-83-8*0
iso-Propylium[CH3CHCH3]+ (g)C[CH+]C822.88805.62± 0.26kJ/mol43.0871 ±
0.0024
19252-53-0*0
TrioxidaneHOOOH (g, cis)OOO-72.03-80.52± 0.81kJ/mol50.01408 ±
0.00091
14699-99-1*2
1-PropenylCH3CHCH (g, cis)CC=[CH]277.98267.19± 0.79kJ/mol41.0718 ±
0.0024
6067-68-1*2
1-PropynylCH3CC (g)CC#[C]529.00526.64± 0.81kJ/mol39.0559 ±
0.0024
89342-91-6*0
Propargylenide[HCCCH]- (g, cisoid 2A)C#C[CH-]437.0439.5± 1.1kJ/mol38.0485 ±
0.0024
82906-05-6*2
2-Propyn-1-ylium-1-ylidene[CCCH]+ (g)C#C[C+]1598.01602.9± 1.3kJ/mol37.0395 ±
0.0024
75104-46-0*0
2-ButyneCH3CCCH3 (g)CC#CC158.96146.00± 0.59kJ/mol54.0904 ±
0.0032
503-17-3*0
1-ButyneCH3CH2CCH (g)CCC#C179.36165.77± 0.67kJ/mol54.0904 ±
0.0032
107-00-6*0
iso-PentaneCH3CH2CH(CH3)2 (g)CCC(C)C-119.22-153.27± 0.44kJ/mol72.1488 ±
0.0041
78-78-4*0
Chlorine fluorideClF (g)ClF-55.612-55.707± 0.055kJ/mol54.45110 ±
0.00090
7790-89-8*0
2-HydroxyethylCH2CH2OH (g, staggered-anti)[CH2]CO-5.1-17.5± 1.2kJ/mol45.0605 ±
0.0017
4422-54-2*3
VinoxyCH2CHO (g)C=C[O]22.4615.62± 0.77kJ/mol43.0446 ±
0.0016
6912-06-7*0
Acetyl anion[CH3CO]- (g)C[C-]=O-43.8-49.4± 1.3kJ/mol43.0452 ±
0.0016
78944-68-0*0
KeteneCH2CO (g, triplet)C=C=O182.5177.5± 1.1kJ/mol42.0367 ±
0.0016
463-51-4*1
Formic acidHC(O)OH (g)C(=O)O-371.12-378.42± 0.22kJ/mol46.0254 ±
0.0010
64-18-6*0
HydroxyformylHOCO (g, cis)O[C]=O-174.04-177.07± 0.51kJ/mol45.0174 ±
0.0010
2564-86-5*2
Hydroxyformyl anion[HOCO]- (g, cis)[C-](=O)O-319.36-322.13± 0.58kJ/mol45.0180 ±
0.0010
78944-70-4*2
FluorotrichloromethaneCCl3F (g)C(Cl)(Cl)(Cl)F-286.9-290.1± 1.2kJ/mol137.3672 ±
0.0028
75-69-4*0
BromotrichloromethaneCCl3Br (g)C(Cl)(Cl)(Cl)Br-33.82-42.97± 0.71kJ/mol198.2728 ±
0.0030
75-62-7*0
DifluoromethyleneCF2 (g)[C](F)F-193.99-193.51± 0.38kJ/mol50.00751 ±
0.00080
2154-59-8*0
FluoromethyleneCHF (g, triplet)[CH]F210.12210.45± 0.68kJ/mol32.01704 ±
0.00080
13453-52-6*1
HexafluoroethaneCF3CF3 (g)C(F)(F)(F)C(F)(F)F-1334.5-1342.8± 1.5kJ/mol138.0118 ±
0.0016
76-16-4*0
1,1-DifluoroethaneCHF2CH3 (g)CC(F)F-489.09-502.81± 0.65kJ/mol66.0500 ±
0.0016
75-37-6*0
2-HydrotrioxyOO(H)O (g)[O][OH][O]300.9295.2± 1.1kJ/mol49.00614 ±
0.00090
*12500-78-6*0
1,1-DifluoroetheneCH2CF2 (g)C=C(F)F-343.72-350.78± 0.85kJ/mol64.0341 ±
0.0016
75-38-7*0
Tricarbon dioxideOCCCO (g)O=C=C=C=O-96.2-94.1± 1.2kJ/mol68.0309 ±
0.0025
504-64-3*0
IodobenzeneC6H5I (g)c1ccc(cc1)I177.6161.6± 1.0kJ/mol204.0084 ±
0.0048
591-50-4*0
Iodine monobromideIBr (g)IBr49.71740.770± 0.067kJ/mol206.8085 ±
0.0010
7789-33-5*0
Nitrosyl nitriteONONO (g, sym)O=NON=O92.687.5± 1.2kJ/mol76.01168 ±
0.00091
122413-35-8*1
NitroxylNO3 (g)O=[N+]([O-])[O]79.3874.13± 0.19kJ/mol62.00494 ±
0.00090
12033-49-7*0
IsodiazeneH2NN (g)[N]N307.99300.93± 0.75kJ/mol30.02936 ±
0.00020
28647-38-3*0
Nitryl hydrideHN(O)O (g)[NH+](=O)[O-]-37.2-44.2± 1.5kJ/mol47.01348 ±
0.00061
90266-90-3*0
Carbon atom cationC+ (g)[C+]1797.8541803.452± 0.050kJ/mol12.01015 ±
0.00080
14067-05-1*0
Methyliumyl[CH2]+ (g)[CH2+]1393.091393.95± 0.13kJ/mol14.02603 ±
0.00081
15091-72-2*0
Oxygen atomO (g, singlet)[O]436.666438.523± 0.0021kJ/mol15.99940 ±
0.00030
17778-80-2*2
Methyliumylidene[CH]+ (g)[CH+]1619.7581623.102± 0.057kJ/mol13.01809 ±
0.00080
24361-82-8*0
Methylidyne anion[CH]- (g)[CH-]475.47478.79± 0.91kJ/mol13.01919 ±
0.00080
28604-54-8*0
Ozonide[OOO]- (g)O=[O-]=O-58.48-60.83± 0.21kJ/mol47.99875 ±
0.00090
12596-80-4*0
(E)-IminomethylHCNH (g, trans)[CH]=N275.92272.30± 0.84kJ/mol28.03332 ±
0.00082
54980-10-8*0
Nitrilomethylium[CN]+ (g)[C+]#N1778.31781.8± 1.2kJ/mol26.01689 ±
0.00080
12539-57-0*0
FluoroacetyleneHCCF (g)C#CF104.73105.45± 0.41kJ/mol44.0277 ±
0.0016
2713-09-9*0
ChloroacetyleneHCCCl (g)C#CCl228.3229.2± 1.1kJ/mol60.4820 ±
0.0018
593-63-5*0
Methanol cation[CH3OH]+ (g)[CH3+]O857.08846.75± 0.33kJ/mol32.04131 ±
0.00090
12538-91-9*0
Methyloxonium[CH3OH2]+ (g)CO.[H+]589.9575.7± 1.2kJ/mol33.04925 ±
0.00092
17836-08-7*0
Hydroxyde[OH]- (aq)[OH-]-230.012± 0.029kJ/mol17.00789 ±
0.00031
14280-30-9*800
Oxidanylium[OH]+ (g)[OH+]1293.1891293.218± 0.035kJ/mol17.00679 ±
0.00031
12259-29-9*0
Carbonic acidC(O)(OH)2 (g, cis-trans)OC(=O)O-596.93-607.04± 0.85kJ/mol62.0248 ±
0.0012
463-79-6*2
Carbonic acidC(O)(OH)2 (g, trans-trans)OC(=O)O-561.70-570.55± 0.98kJ/mol62.0248 ±
0.0012
463-79-6*3
1,2-Propadienyl anion[CH2CCH]- (g)C=C=[CH-]265.85262.65± 0.72kJ/mol39.0565 ±
0.0024
64066-06-4*0
1-Propynyl anion[CH3CC]- (g)CC#[C-]265.06261.59± 0.81kJ/mol39.0565 ±
0.0024
36147-87-2*0
Bromine monochlorideBrCl (g)BrCl21.88014.437± 0.060kJ/mol115.3567 ±
0.0013
13863-41-7*0
neo-PentaneC(CH3)4 (g)CC(C)(C)C-134.64-167.52± 0.41kJ/mol72.1488 ±
0.0041
463-82-1*0
CyclohexaneCH2(CH2CH2CH2CH2CH2) (g)C1CCCCC1-83.59-123.15± 0.36kJ/mol84.1595 ±
0.0049
110-82-7*0
2-Hydroxyethylium[CH2CH2OH]+ (g, staggered-anti)[CH2+]CO1019.61006.8± 1.6kJ/mol45.0600 ±
0.0017
38607-31-7*3
Vinyl alcoholCH2CHOH (g, syn)C=CO-112.55-123.86± 0.84kJ/mol44.0526 ±
0.0017
557-75-5*1
EthynolHCCOH (g)C#CO94.992.8± 1.3kJ/mol42.0367 ±
0.0016
32038-79-2*0
Hydroxyformyl anion[HOCO]- (g, trans)[C-](=O)O-313.53-315.48± 0.59kJ/mol45.0180 ±
0.0010
78944-70-4*1
1-PropanolCH3CH2CH2OH (g)CCCO-231.38-255.22± 0.26kJ/mol60.0950 ±
0.0025
71-23-8*0
2-PropanolCH3CH(OH)CH3 (g)CC(O)C-248.77-272.87± 0.36kJ/mol60.0950 ±
0.0025
67-63-0*0
Acetic acidCH3C(O)OH (g, syn)CC(=O)O-418.38-432.50± 0.54kJ/mol60.0520 ±
0.0017
64-19-7*1
Ethylene glycol(CH2OH)2 (g)OCCO-369.80-389.43± 0.49kJ/mol62.0678 ±
0.0018
107-21-1*0
FluorochloromethaneCH2FCl (g)C(F)Cl-256.4-263.6± 1.3kJ/mol68.4777 ±
0.0012
593-70-4*0
Chlorine atom cationCl+ (g)[Cl+]1370.8061372.602± 0.0011kJ/mol35.45215 ±
0.00090
24203-47-2*0
TrioxidanylHOOO (g, trans)OO[O]25.3123.33± 0.13kJ/mol49.00614 ±
0.00090
12500-78-6*1
1,3-ButadiyneHCCCCH (g)C#CC#C458.57460.30± 0.86kJ/mol50.0587 ±
0.0032
460-12-8*0
TolueneC6H5CH3 (g)c1ccc(cc1)C73.5650.27± 0.36kJ/mol92.1384 ±
0.0056
108-88-3*0
Fluorobenzene cation[C6H5F]+ (g)c1ccc(cc1)[F+]788.69774.00± 0.83kJ/mol96.1018 ±
0.0048
34468-25-2*0
NitromethylCH2N(O)O (g)C=[N+](=O)[O-]138.8129.4± 1.2kJ/mol60.0321 ±
0.0010
16787-85-2*0
Dinitrogen pentoxideO2NONO2 (g)O=[N+]([O-])O[N+](=O)[O-]24.4114.84± 0.35kJ/mol108.0105 ±
0.0015
10102-03-1*0
Water anion[(H)(OH)]- (g, vdW ?)[H][O-][H]30.529.0± 2.5kJ/mol18.01583 ±
0.00033
12259-30-2*100
BromoniumBr+ (g)[Br+]1257.7771251.714± 0.056kJ/mol79.90345 ±
0.00100
22541-56-6*0
Peroxynitric acidHOON(O)O (g)[N+](=O)([O-])OO-42.6-54.1± 1.3kJ/mol79.0123 ±
0.0012
26404-66-0*0
Nitrosyl chlorideClNO (g)ClN=O54.45152.549± 0.067kJ/mol65.45884 ±
0.00095
2696-92-6*0
Carbon dioxideCO2 (g, triplet)C(=O)=O49.4850.33± 0.99kJ/mol44.00950 ±
0.00100
124-38-9*1
Methane cation[CH4]+ (g)[CH4+]1150.841144.45± 0.25kJ/mol16.04191 ±
0.00085
20741-88-2*0
Ethonium[C2H7]+ (g)[CH3+][H][CH3]874.54858.30± 0.61kJ/mol31.0764 ±
0.0017
24669-33-8*0
Vinyl anion[C2H3]- (g)C=[CH-]237.24232.82± 0.84kJ/mol27.0458 ±
0.0016
25012-81-1*0
Acetylene cation[HCCH]+ (g)C#[CH+]1328.851328.18± 0.14kJ/mol26.0367 ±
0.0016
25641-79-6*0
BromideBr- (aq)[Br-]-120.80± 0.16kJ/mol79.90455 ±
0.00100
24959-67-9*800
1-Ethylium-1-ylidene[CH3C]+ (g)[C+]C1329.61328.2± 1.2kJ/mol27.0447 ±
0.0016
78949-84-5*0
Ethylidyne anion[CH3C]- (g)[C-]C456.8452.7± 1.4kJ/mol27.0458 ±
0.0016
117768-70-4*0
Vinylidene anion[CCH2]- (g)[C-]=C364.15363.97± 0.62kJ/mol26.0378 ±
0.0016
66295-36-1*0
IodideI- (aq)[I-]-56.829± 0.090kJ/mol126.905019 ±
0.000030
20461-54-5*800
Ethynylium[C2H]+ (g)[CH][C+]1687.591690.93± 0.16kJ/mol25.0288 ±
0.0016
16456-59-0*0
AminomethylCH2NH2 (g)[CH2]N159.40148.51± 0.58kJ/mol30.04920 ±
0.00085
10507-29-6*0
Methylamidogen anion[CH3NH]- (g)C[NH-]145.99134.64± 0.76kJ/mol30.04975 ±
0.00085
54448-39-4*0
MethyleneamidogenH2CN (g)C=[N]242.22238.56± 0.85kJ/mol28.03332 ±
0.00082
15845-29-1*0
(Z)-IminomethylHCNH (g, cis)[CH]=N294.5291.0± 1.2kJ/mol28.03332 ±
0.00082
54980-11-9*0
Methyloxoniumylidene[CH3O]+ (g)C[O+]1062.431054.62± 0.72kJ/mol31.03337 ±
0.00088
58157-09-8*0
HydroxymethyleneHCOH (g, cis)[CH]O130.86127.11± 0.34kJ/mol30.02598 ±
0.00087
19710-56-6*2
Hydroxymethylene cation[HCOH]+ (g, trans)[CH+]O971.9968.3± 1.3kJ/mol30.02543 ±
0.00087
135395-06-1*1
Hydrogen difluoride cation[FFH]+ (g)[F+]F[H]1173.51170.6± 1.7kJ/mol39.004198 ±
0.000070
*126950-54-7*0
Oxoniumyl ion[H2O]+ (g)[H][O+][H]978.472975.569± 0.029kJ/mol18.01473 ±
0.00033
56583-62-1*0
IsoformylCOH (g)[C]O217.30217.69± 0.67kJ/mol29.01804 ±
0.00086
71080-92-7*0
Azide ion[NNN]- (g)[N]N=[N-]193.63190.05± 0.89kJ/mol42.02077 ±
0.00021
14343-69-2*0
1-PropenylCH3CHCH (g, trans)CC=[CH]280.02269.21± 0.81kJ/mol41.0718 ±
0.0024
6067-68-1*1
CyclopropeneCH2(CHCH) (g)C1C=C1292.54283.82± 0.54kJ/mol40.0639 ±
0.0024
2781-85-3*0
CyclobutaneCH2(CH2CH2CH2) (g)C1CCC152.1727.63± 0.47kJ/mol56.1063 ±
0.0032
287-23-0*0
Dioxidenium[HO2]+ (g)O[O+]1110.871107.98± 0.11kJ/mol33.00619 ±
0.00060
12207-52-2*0
n-HeptaneCH3(CH2)5CH3 (g)CCCCCCC-145.65-187.53± 0.48kJ/mol100.2019 ±
0.0057
142-82-5*0
n-OctaneCH3(CH2)6CH3 (g)CCCCCCCC-161.43-208.27± 0.67kJ/mol114.2285 ±
0.0065
111-65-9*0
1-Hydroxyethylium[CH3CHOH]+ (g, syn)C[CH+]O611.1596.6± 1.2kJ/mol45.0600 ±
0.0017
18682-96-7*2
1H-Triazirin-1-ylN(NN) (g)[N]1N=[N]1585.9584.1± 2.0kJ/mol42.02022 ±
0.00021
912535-95-6*0
Vinyl alcoholCH2CHOH (g, anti)C=CO-108.10-118.62± 0.88kJ/mol44.0526 ±
0.0017
557-75-5*2
Vinyl alcohol cation[CH2CHOH]+ (g, anti)C=C[OH+]779.2768.0± 1.2kJ/mol44.0520 ±
0.0017
57239-63-1*2
OxiranylCH2(CHO) (g)C1[CH]O1172.8164.5± 1.4kJ/mol43.0446 ±
0.0016
31586-84-2*0
Oxiranylium[CH2(CHO)]+ (g, singlet)C1[CH+]O1901.6893.6± 1.4kJ/mol43.0441 ±
0.0016
57789-76-1*2
C=O=CCOC (g, triplet)[C]=[O]=[C]653.3657.6± 2.2kJ/mol40.0208 ±
0.0016
*12071-23-7*1
C=O=CCOC (g, singlet)[C]=[O]=[C]721.5725.9± 1.6kJ/mol40.0208 ±
0.0016
*12071-23-7*2
OxireneO(CHCH) (g, singlet)C1=CO1272.81272.12± 0.98kJ/mol42.0367 ±
0.0016
157-18-6*2
OxireneO(CHCH) (g, t-triplet)C1=CO1388.7384.5± 2.6kJ/mol42.0367 ±
0.0016
157-18-6*11
Formic acid cation[HC(O)OH]+ (g, syn)[CH+](=O)O721.86714.77± 0.26kJ/mol46.0248 ±
0.0010
50614-05-6*1
DioxiraneCH2(OO) (g)C1OO19.411.74± 0.54kJ/mol46.0254 ±
0.0010
157-26-6*0
FormyloxidanylHC(O)O (g, 2B2)C(=O)[O]-120.94-124.29± 0.55kJ/mol45.0174 ±
0.0010
16499-21-1*2
Isofulminic acidHCNO (g)C#[N+][O-]170.91169.45± 0.49kJ/mol43.02478 ±
0.00086
51060-05-0*0
Trioxidanylium[HOOO]+ (g, trans)OO[O+]1070.21063.9± 1.3kJ/mol49.00559 ±
0.00090
74241-49-9*1
Methyl formateHC(O)OCH3 (g, anti-eclipsed)COC=O-324.6-337.1± 1.6kJ/mol60.0520 ±
0.0017
107-31-3*2
Methyl iodideCH3I (l)CI-12.20± 0.19kJ/mol141.93899 ±
0.00083
74-88-4*590
DifluoromethyleneCF2 (g, triplet)[C](F)F43.2043.92± 0.38kJ/mol50.00751 ±
0.00080
2154-59-8*1
DifluoromethyleneCF2 (g, singlet)[C](F)F-193.99-193.51± 0.38kJ/mol50.00751 ±
0.00080
2154-59-8*2
Ethyl iodideCH3CH2I (l)CCI-9.40-39.26± 0.49kJ/mol155.9656 ±
0.0016
75-03-6*500
Fluoro(fluorooxy)methyleneFCOF (g, cis)F[C]OF-135.8-137.0± 2.0kJ/mol66.00691 ±
0.00085
479587-30-9*2
DibromophosgeneCOBr2 (g)C(Br)(Br)=O-97.98-113.91± 0.37kJ/mol187.8181 ±
0.0022
593-95-3*0
FluorideF- (aq)[F-]-334.51± 0.17kJ/mol18.99895178 ±
0.00000050
16984-48-8*800
BenzeneC6H6 (cr,l)c1ccccc150.7249.17± 0.25kJ/mol78.1118 ±
0.0048
71-43-2*500
Benzoyl fluorideC6H5C(O)F (g)c1ccc(cc1)C(=O)F-288.0-304.4± 1.5kJ/mol124.1124 ±
0.0056
455-32-3*0
(E)-Diazene cation[HNNH]+ (g, trans)[H]/N=[N+]/[H]1132.581125.67± 0.67kJ/mol30.02881 ±
0.00020
59952-06-6*0
(E)-Diazene anion[HNNH]- (g, trans)[H]/N=[N-]/[H]269.3262.4± 1.7kJ/mol30.02991 ±
0.00020
*59952-06-6*0
(Z)-DiazeneHNNH (g, cis)[H]/N=N\[H]229.21222.07± 0.64kJ/mol30.02936 ±
0.00020
15626-42-3*0
DiazenylN2H (g)[N]=N252.25249.33± 0.48kJ/mol29.02142 ±
0.00016
36882-13-0*0
Hydroxyaminiumyl[NOH]+ (g)[N+]O1160.61157.7± 1.3kJ/mol31.01353 ±
0.00032
63559-88-6*0
HydroxyamidogenHNOH (g, cis)[NH]O123.5117.0± 1.4kJ/mol32.02202 ±
0.00034
13940-32-4*2
Hydroxyaminylium[HNOH]+ (g, trans)[NH+]O1020.21013.0± 1.9kJ/mol32.02147 ±
0.00034
66097-71-0*1
Triiodide ion[I3]- (aq)I[I-]I-51.36± 0.80kJ/mol380.713959 ±
0.000090
14900-04-0*800
DioxyamidogenHNOO (g, cis)[NH-][O+]=O240.4233.7± 1.8kJ/mol47.01348 ±
0.00061
71843-95-3*2
Peroxynitrous acidHOONO (g, cis, perp)OON=O-0.35-7.40± 0.53kJ/mol63.01288 ±
0.00091
14691-52-2*2
DioxiranylideneC(OO) (g)[C]1OO1190.6191.4± 1.3kJ/mol44.00950 ±
0.00100
138832-57-2*0
Deuterium atomD (g)[2H]219.804221.717± 0.000kJ/mol2.01410177800 ±
0.00000000040
16873-17-9*0
Hypoiodite[IO]- (g)I[O-]-102.5-104.4± 1.2kJ/mol142.90442 ±
0.00030
15065-65-3*0
Methylene anion[CH2]- (g)[CH2-]328.48328.91± 0.51kJ/mol14.02713 ±
0.00081
50928-07-9*0
MethylidyneCH (g, doublet)[CH]592.78596.12± 0.11kJ/mol13.01864 ±
0.00080
3315-37-5*1
Hydrogen fluorideHF (aq, 40 H2O)F-321.15± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*821
EthylidyneCH3C (g, doublet)[C]C508.58504.88± 0.87kJ/mol27.0452 ±
0.0016
67624-57-1*1
Trioxodinitrate anion[ONNO2]- (g, vdW)O=N-[N](=O)[O-]-104.4-108.4± 2.3kJ/mol76.01223 ±
0.00091
194856-62-7*100
Aminomethylium[CH2NH2]+ (g)[CH2+]N763.9752.0± 1.8kJ/mol30.04865 ±
0.00085
488821-23-4*0
MethylamidogenCH3NH (g)C[NH]187.86177.13± 0.61kJ/mol30.04920 ±
0.00085
15622-51-2*0
AminomethyleneHCNH2 (g)[CH][NH2]246.6238.8± 1.6kJ/mol29.04126 ±
0.00083
35430-17-2*0
MethylimidogenH3CN (g)C[N]323.8316.0± 1.6kJ/mol29.04126 ±
0.00083
27770-42-9*0
Methyleneamidogen anion[H2CN]- (g)C=[N-]193.1189.3± 1.1kJ/mol28.03387 ±
0.00082
28892-56-0*0
AminomethylidyneCNH2 (g)[C]N372.2368.7± 1.4kJ/mol28.03332 ±
0.00082
84654-89-7*0
Hydrogen isocyanideHNC (g)[C]=N191.79192.18± 0.47kJ/mol27.02538 ±
0.00081
6914-07-4*0
Cyanide[CN]- (g)[C-]#N63.95867.244± 0.095kJ/mol26.01799 ±
0.00080
57-12-5*0
MethyleneoxoniumCH2OH2 (g)[CH2].O154.6146.3± 1.4kJ/mol32.04186 ±
0.00090
177788-17-9*0
HydroxymethyleneHCOH (g, gauche triplet)[CH]O219.0216.1± 1.1kJ/mol30.02598 ±
0.00087
19710-56-6*3
Hydroxymethylene anion[HCOH]- (g, trans)[CH-]O147.4144.4± 1.4kJ/mol30.02653 ±
0.00087
207914-87-2*1
Dinitrogen tetraoxideO2NNO2 (g)O=N(=O)N(=O)=O20.1510.86± 0.14kJ/mol92.0111 ±
0.0012
10544-72-6*0
Hydroxymethyliumylidene[COH]+ (g)[C+]O986.13987.77± 0.80kJ/mol29.01749 ±
0.00086
60528-75-8*0
Isoformyl anion[(CO)(H)]- (g, vdW singlet ?)[C][O].[H-]55.858.4± 1.8kJ/mol29.01859 ±
0.00086
81747-63-9*1
Propylium[CH3CH2CH2]+ (g)CC[CH2+]856.87838.65± 0.83kJ/mol43.0871 ±
0.0024
19252-52-9*0
CyclopropylCH(CH2CH2) (g)C1C[CH]1302.8290.2± 1.6kJ/mol41.0718 ±
0.0024
2417-82-5*0
Cycloprop-1-enylCH2(CHC) (g)C1C=[C]1528.11523.53± 0.78kJ/mol39.0559 ±
0.0024
19528-44-0*0
Cycloprop-2-enylCH(CHCH) (g)C1=C[CH]1491.03486.42± 0.77kJ/mol39.0559 ±
0.0024
28933-84-8*0
CyclopropenylideneC(CHCH) (g)C1=C=C1497.07496.12± 0.47kJ/mol38.0480 ±
0.0024
16165-40-5*0
2-Propynylidyne anion[CCCH]- (g)C#C[C-]539.97544.82± 0.84kJ/mol37.0406 ±
0.0024
82893-67-2*0
CyclopropynylCH(CC) (g)[CH]1C#C1710.7714.8± 1.1kJ/mol37.0400 ±
0.0024
119178-99-3*0
n-ButylCH3CH2CH2CH2 (g)CCC[CH2]101.4878.25± 0.98kJ/mol57.1143 ±
0.0033
2492-36-6*0
MethylcyclopropaneCH3CH(CH2CH2) (g)CC1CC147.524.3± 1.3kJ/mol56.1063 ±
0.0032
594-11-6*0
CyclobuteneCH2(CH2CHCH) (g)C1CC=C1176.79159.74± 0.93kJ/mol54.0904 ±
0.0032
822-35-5*0
Oxygen cation monohydrate[(HOH)O]+ (g)[H]O[H][O+]1153.21147.7± 3.3kJ/mol34.01413 ±
0.00062
*31748-17-1*0
Oxygen anion monohydrate[(HOH)O]- (g)[H]O[H][O-]-239.1-244.3± 3.0kJ/mol34.01523 ±
0.00062
31748-17-1*0
Vinyl alcohol cation[CH2CHOH]+ (g, syn)C=C[OH+]787.30776.18± 0.99kJ/mol44.0520 ±
0.0017
57239-63-1*1
Vinoxy cation[CH2CHO]+ (g, triplet)[CH2+]C=O1020.21013.2± 1.6kJ/mol43.0441 ±
0.0016
*35731-40-9*1
Vinoxide[CH2CHO]- (g)[CH2-]C=O-153.55-160.60± 0.77kJ/mol43.0452 ±
0.0016
35731-40-9*0
Acetic acidCH3C(O)OH (aq)CC(=O)O-485.18± 0.23kJ/mol60.0520 ±
0.0017
64-19-7*800
KeteneCH2CO (g, singlet)C=C=O-45.45-48.57± 0.13kJ/mol42.0367 ±
0.0016
463-51-4*2
COC vdW(CO)(C) (g, triplet)[C]=O.[C]589.8598.5± 1.8kJ/mol40.0208 ±
0.0016
*12071-24-8*1
OxireneO(CHCH) (g, c-triplet)C1=CO1390.8386.6± 2.7kJ/mol42.0367 ±
0.0016
157-18-6*12
Methylperoxy anion[CH3OO]- (g)CO[O-]-89.79-99.94± 0.67kJ/mol47.0339 ±
0.0010
35683-44-4*0
Formyloxoniumylidene[HC(O)O]+ (g)C(=O)[O+]1016.91013.5± 1.3kJ/mol45.0169 ±
0.0010
54375-27-8*0
DioxymethyleneHCOO (g, trans)[CH]O[O]363.6361.2± 2.6kJ/mol45.0174 ±
0.0010
438586-67-5*1
Trioxidaniumyl[HOOOH]+ (g, t, t)O[O+]O927.1917.8± 1.3kJ/mol50.01353 ±
0.00091
161321-37-5*2
Cyanic acidHOCN (g)OC#N-12.21-14.92± 0.49kJ/mol43.02478 ±
0.00086
420-05-3*0
Fulminic acidHONC (g)O[N+]#[C-]235.37233.67± 0.48kJ/mol43.02478 ±
0.00086
506-85-4*0
Isocyanate[NCO]- (g)[N-]=C=O-221.11-221.33± 0.54kJ/mol42.01739 ±
0.00086
71000-82-3*0
NitrosomethylidyneCNO (g)[C]N=O389.4390.7± 1.5kJ/mol42.01684 ±
0.00086
82267-15-0*0
OxazirinylC(NO) (g)[C]1=NO1449.9450.7± 1.5kJ/mol42.01684 ±
0.00086
228850-18-8*0
Dimethylamine(CH3)2NH (g)CNC5.91-15.99± 0.67kJ/mol45.0837 ±
0.0017
124-40-3*0
Trimethylamine(CH3)3N (g)CN(C)C4.47-24.08± 0.63kJ/mol59.1103 ±
0.0025
75-50-3*0
IsocyanogenCNCN (g)[C-]#[N+]C#N410.7413.1± 1.6kJ/mol52.0349 ±
0.0016
83951-85-3*0
DiisocyanogenCNNC (g)[C-]#[N+][N+]#[C-]610.1613.0± 1.7kJ/mol52.0349 ±
0.0016
78800-21-2*0
Fluorosyl ion[FO]+ (g)O=[F+]1342.621342.57± 0.78kJ/mol34.99725 ±
0.00030
12763-67-6*0
CyanoamidogenHNCN (g)[NH]C#N324.7322.3± 1.7kJ/mol41.03212 ±
0.00082
12347-01-2*0
Oxywater(H2O)O (g)[OH2][O]65.058.5± 1.2kJ/mol34.01468 ±
0.00062
171363-09-0*0
BromodichloromethaneCHCl2Br (g)C(Cl)(Cl)Br-38.6-50.3± 1.3kJ/mol163.8280 ±
0.0022
75-27-4*0
Chlorous acidHOClO (g)OCl=O25.6720.61± 0.67kJ/mol68.4594 ±
0.0011
13898-47-0*0
DifluorodibromomethaneCF2Br2 (g)C(F)(F)(Br)Br-366.7-384.4± 1.4kJ/mol209.8155 ±
0.0022
75-61-6*0
DichlorodibromomethaneCCl2Br2 (g)C(Cl)(Cl)(Br)Br19.63.9± 1.5kJ/mol242.7241 ±
0.0028
594-18-3*0
BromodifluoromethaneCHF2Br (g)C(F)(F)Br-410.92-424.11± 0.49kJ/mol130.9194 ±
0.0013
1511-62-2*0
1,2-DifluoroethaneCH2FCH2F (g)C(F)CF-434.51-447.94± 0.86kJ/mol66.0500 ±
0.0016
624-72-6*0
2-Hydrotrioxy anion[OO(H)O]- (g)[O][OH][O-]27.621.9± 1.2kJ/mol49.00669 ±
0.00090
*89965-38-8*0
1,2-DifluoroacetyleneFCCF (g)FC#CF2.455.27± 0.65kJ/mol62.0182 ±
0.0016
689-99-6*0
Fluoro(fluorooxy)methyleneFCOF (g, trans)F[C]OF-38.9-40.4± 1.9kJ/mol66.00691 ±
0.00085
479587-30-9*1
ChloroformylClCO (g)Cl[C]=O-21.93-20.54± 0.49kJ/mol63.4628 ±
0.0012
2602-42-8*0
Phenylium[C6H5]+ (g, triplet)c1cccc[c+]11251.61239.4± 3.3kJ/mol77.1034 ±
0.0048
17333-73-2*1
Chlorobenzene cation[C6H5Cl]+ (g)c1ccc(cc1)[Cl+]942.47928.55± 0.61kJ/mol112.5561 ±
0.0049
55450-32-3*0
ChlorobenzeneC6H5Cl (cr,l)c1ccc(cc1)Cl11.22± 0.59kJ/mol112.5566 ±
0.0049
108-90-7*500
Bromobenzene cation[C6H5Br]+ (g)c1ccc(cc1)[Br+]994.7973.3± 1.3kJ/mol157.0074 ±
0.0049
55450-33-4*0
IodobenzeneC6H5I (cr,l)c1ccc(cc1)I112.7112.8± 1.1kJ/mol204.0084 ±
0.0048
591-50-4*500
2-Hydrotrioxy cation[OO(H)O]+ (g)[O][OH][O+]1297.81291.1± 1.3kJ/mol49.00559 ±
0.00090
*74241-49-9*0
Methyl nitriteCH3ONO (g, cis-trans equilib)CON=O-55.46-66.13± 0.46kJ/mol61.0401 ±
0.0010
624-91-9*0
1,2-Dichloroethane(CClH2)2 (g)C(Cl)CCl-118.24-130.18± 0.59kJ/mol98.9586 ±
0.0024
107-06-2*0
Carbon atom anionC- (g)[C-]589.624594.771± 0.050kJ/mol12.01125 ±
0.00080
14337-00-9*0
ChlorideCl- (aq)[Cl-]-166.994± 0.023kJ/mol35.45325 ±
0.00090
16887-00-6*800
DioxymethylidyneCOO (g)[C]O[O]298.6299.9± 1.5kJ/mol44.00950 ±
0.00100
791121-04-5*0
OxadiazirineO(NN) (g)N1=NO1352.1350.3± 1.4kJ/mol44.01288 ±
0.00033
227934-45-4*0
2-Cyclopropyn-1-ylideneC(CC) (g, triplet)C1=C=C=1899.2906.1± 1.5kJ/mol36.0321 ±
0.0024
102508-15-6*1
Propynylidyne cation[C(CC)]+ (g)[C+]1=C=C=11948.31956.2± 2.0kJ/mol36.0316 ±
0.0024
154702-35-9*0
Ethylene cation[C2H4]+ (g)C=[CH2+]1075.281068.07± 0.13kJ/mol28.0526 ±
0.0016
34470-02-5*0
Bifluoride[FHF]- (g)F[H][F-]-709.1-713.0± 1.8kJ/mol39.005295 ±
0.000070
18130-74-0*0
NONNON (g)[N]O[N]544.7541.5± 1.5kJ/mol44.01288 ±
0.00033
227934-46-5*0
Iminomethyl anion[HCNH]- (g, trans)[CH-]=N238.9235.1± 1.9kJ/mol28.03387 ±
0.00082
90623-30-6*1
Isoformyl anion[COH]- (g, triplet)[C][O].[H-]267.4268.0± 1.6kJ/mol29.01859 ±
0.00086
81747-63-9*2
2-Propynylium[CH2CCH]+ (g)[CH2+]C#C1193.471190.66± 0.38kJ/mol39.0554 ±
0.0024
21540-27-2*0
2-Cyclopropen-1-ylium-1-yl[C(CHCH)]+ (g)C1=[C+]=C11382.01381.0± 1.2kJ/mol38.0474 ±
0.0024
85398-75-0*0
PropynylideneHCCCH (g, cis singlet)[CH]=C=[CH]597.6599.3± 1.2kJ/mol38.0480 ±
0.0024
67152-18-5*3
PropenediylideneCHCHC (g)[CH][CH][C]796.2797.4± 1.3kJ/mol38.0480 ±
0.0024
60731-11-5*0
Dioxygen anion[O2]- (g)O=[O-]-43.38-42.74± 0.17kJ/mol31.99935 ±
0.00060
11062-77-4*0
Trifluoromethide[CF3]- (g)[C-](F)(F)F-637.7-639.6± 1.6kJ/mol69.00646 ±
0.00080
54128-17-5*0
Hydrogen fluorideHF (aq, 22 H2O)F-321.07± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*902
CyclopenteneCH2(CH2CHCHCH2) (g)C1CC=CC158.1233.85± 0.45kJ/mol68.1170 ±
0.0040
142-29-0*0
Ethyloxoniumyl[CH3CH2OH]+ (g)CC[OH+]784.1766.9± 1.5kJ/mol46.0679 ±
0.0017
34480-55-2*0
1-Hydroxyethylium[CH3CHOH]+ (g)C[CH+]O609.14594.72± 0.39kJ/mol45.0600 ±
0.0017
18682-96-7*0
Acetaldehyde cation[CH3CHO]+ (g)CC=[O+]832.02822.04± 0.29kJ/mol44.0520 ±
0.0017
36505-03-0*0
Oxiranylium[CH2(CHO)]+ (g, triplet)C1[CH+]O11233.71226.7± 1.8kJ/mol43.0441 ±
0.0016
57789-76-1*1
Oxiranyl anion[CH2(CHO)]- (g)C1[CH-]O1121.4113.3± 1.6kJ/mol43.0452 ±
0.0016
72722-59-9*0
Dibromine monoxideBrOBr (g)BrOBr120.9104.4± 1.3kJ/mol175.8074 ±
0.0020
21308-80-5*0
Fluorochlorate[ClF]- (g)[Cl-]F-255.99-255.39± 0.80kJ/mol54.45165 ±
0.00090
12272-56-9*0
Ethynol anion[HCCO]- (g)[CH-]=C=O-48.62-47.37± 0.87kJ/mol41.0293 ±
0.0016
64066-01-9*0
Dicarbon monoxide anion[CCO]- (g)[C-]=C=O153.8157.5± 1.2kJ/mol40.0213 ±
0.0016
87191-88-6*0
Dicarbon monoxide cation[CCO]+ (g)[C+]=C=O1433.51438.5± 1.8kJ/mol40.0203 ±
0.0016
12287-08-0*0
HydroxyimidogenNOH (g)[N]O217.45214.57± 0.87kJ/mol31.01408 ±
0.00032
35337-59-8*0
COC vdW(CO)(C) (g, singlet)[C]=O.[C]727.2735.5± 1.7kJ/mol40.0208 ±
0.0016
*12071-24-8*2
C=O-C cation[COC]+ (g, doublet)[C]=[O+][C]1576.21583.3± 2.3kJ/mol40.0203 ±
0.0016
83483-98-1*1
C=O=C anion[COC]- (g)[C-]=[O+]=[C-]551.0554.7± 2.1kJ/mol40.0213 ±
0.0016
*87191-88-6*0
Aminylium[NH2]+ (g)[NH2+]1266.551264.47± 0.12kJ/mol16.02207 ±
0.00016
15194-15-7*0
Formic acid cation[HC(O)OH]+ (g, anti)[CH+](=O)O723.8716.7± 1.1kJ/mol46.0248 ±
0.0010
50614-05-6*2
Formic acid anion[HC(O)OH]- (g, syn)[CH-](=O)O-255.6-261.8± 1.7kJ/mol46.0259 ±
0.0010
19066-82-1*1
Nitrous acidHONO (g, cis)N(=O)O-71.37-77.72± 0.29kJ/mol47.01348 ±
0.00061
7782-77-6*2
Peroxyhypochlorous acidHOOCl (g)OOCl3.86-1.42± 0.99kJ/mol68.4594 ±
0.0011
67952-07-2*0
OH-CO vdW complex(OH)(CO) (g, vdW)[O][H].[C]#O-80.30-77.41± 0.96kJ/mol45.0174 ±
0.0010
*2564-85-4*100
CO-HO vdW complex(CO)(HO) (g, vdW)[O][H].O#[C]-77.6-73.6± 1.8kJ/mol45.0174 ±
0.0010
*2564-84-3*100
H-CO2 vdW complex(H)(CO2) (g, vdW)[H].O=C=O-179.3-178.3± 2.2kJ/mol45.0174 ±
0.0010
*2564-83-2*100
AzidonitreneNNNN (g, Cs)[N]=NN=[N]692.0687.4± 1.4kJ/mol56.02696 ±
0.00028
147363-92-6*2
Isocyanic acid cation[HNCO]+ (g)[NH+]=C=O1003.031000.37± 0.51kJ/mol43.02423 ±
0.00086
444010-28-0*0
Isofulminic acid cation[HCNO]+ (g)C#[N+][O]1215.81213.0± 1.3kJ/mol43.02423 ±
0.00086
114766-65-3*0
Acetic acidCH3C(O)OH (aq, 1500 H2O)CC(=O)O-484.91± 0.23kJ/mol60.0520 ±
0.0017
64-19-7*840
Acetyl chlorideCH3C(O)Cl (l)CC(=O)Cl-272.21± 0.33kJ/mol78.4973 ±
0.0019
75-36-5*500
Chlorosyl ion[ClO]+ (g)[Cl+]=O1150.691150.53± 0.66kJ/mol51.45155 ±
0.00095
12301-79-0*0
(Formyloxy)methylHC(O)OCH2 (g, syn)O=CO[CH2]-148.7-156.8± 1.5kJ/mol59.0440 ±
0.0017
3122-12-1*1
Glyoxal(CHO)2 (g, trans)C(=O)C=O-206.99-212.63± 0.52kJ/mol58.0361 ±
0.0017
107-22-2*1
DiazoethenylideneNNCC (g)[N-]=[N+]=C=[C]657.0659.6± 3.0kJ/mol52.0349 ±
0.0016
130760-10-0*0
IsocyanomethylidyneCNC (g)[C][N+]#[C-]671.3675.7± 3.6kJ/mol38.0281 ±
0.0016
53590-27-5*0
DiazomethylHCNN (g)[CH]=[N]=[N]472.8470.2± 2.0kJ/mol41.03212 ±
0.00082
20813-32-5*0
IsocyanoamidogenHNNC (g)[NH][N+]#[C-]492.7490.7± 2.0kJ/mol41.03212 ±
0.00082
947408-73-3*0
TetrachloromethaneCCl4 (l)C(Cl)(Cl)(Cl)Cl-109.53-128.94± 0.65kJ/mol153.8215 ±
0.0037
56-23-5*500
Dioxygenyl ion monohydrate[(H2O)(O2)]+ (g)O.O=[O+]828.6821.5± 1.9kJ/mol50.01353 ±
0.00091
11083-61-7*0
ChloroformCCl3H (l)C(Cl)(Cl)Cl-133.87± 0.63kJ/mol119.3767 ±
0.0028
67-66-3*590
ChlorodibromomethaneCHClBr2 (g)C(Cl)(Br)Br18.1-0.6± 3.4kJ/mol208.2793 ±
0.0023
124-48-1*0
FluorotribromomethaneCBr3F (g)C(Br)(Br)(Br)F-108.3-132.3± 1.6kJ/mol270.7211 ±
0.0031
353-54-8*0
ChlorotribromomethaneCBr3Cl (g)C(Br)(Br)(Br)Cl75.953.1± 1.6kJ/mol287.1754 ±
0.0032
594-15-0*0
Hydrogen fluorideHF (aq, 35 H2O)F-321.13± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*904
Hydroxydioxonitrate[HNO3]- (g)O[N](=O)[O-]-191.2-195.6± 2.9kJ/mol63.01343 ±
0.00091
58875-09-5*0
ChlorobromomethaneCH2ClBr (g)C(Cl)Br-29.3-43.3± 1.4kJ/mol129.3833 ±
0.0016
74-97-5*0
Nitryl ion[ONO]+ (g)O=[N+]=O961.78958.22± 0.20kJ/mol46.00499 ±
0.00060
14522-82-8*0
AmmoniaNH3 (aq, undissoc)N-80.886± 0.053kJ/mol17.03056 ±
0.00022
7664-41-7*1000
Fluoromethyliumylidene[CF]+ (g)[C+]F1122.611125.83± 0.48kJ/mol31.00855 ±
0.00080
33412-11-2*0
FluoromethyleneCHF (g)[CH]F148.26148.54± 0.44kJ/mol32.01704 ±
0.00080
13453-52-6*0
Ethyl iodideCH3CH2I (g)CCI8.72-7.16± 0.49kJ/mol155.9656 ±
0.0016
75-03-6*0
1,2-DichloroacetyleneClCCCl (g)ClC#CCl230.9234.2± 1.9kJ/mol94.9268 ±
0.0024
7572-29-4*0
1,2-DibromoacetyleneBrCCBr (g)BrC#CBr333.1322.2± 3.6kJ/mol183.8294 ±
0.0026
624-61-3*0
Fluoro(fluorooxy)methyleneFCOF (g, vdW triplet)F[C]OF-101.0-99.2± 2.0kJ/mol66.00691 ±
0.00085
479587-30-9*101
Fluorooxomethylium[FCO]+ (g)F[C+]=O724.2723.9± 1.4kJ/mol47.00795 ±
0.00085
38264-00-5*0
FluoroisoformylCOF (g)[C]OF-39.2-33.8± 1.8kJ/mol47.00850 ±
0.00085
*1871-24-5*0
Formyl chlorideHClCO (g)C(=O)Cl-179.60-182.81± 0.93kJ/mol64.4707 ±
0.0012
2565-30-2*0
Ammonium nitrate(NH4)NO3 (cr,l)[NH4+].O=[N+]([O-])[O-]-350.28-365.25± 0.19kJ/mol80.04344 ±
0.00095
6484-52-2*500
Chlorosyl chlorideClClO (g)ClCl[O]134.5133.2± 1.4kJ/mol86.9048 ±
0.0018
86825-56-1*0
DioxaziridinylN(OO) (g)[N]1OO1355.0352.5± 1.3kJ/mol46.00554 ±
0.00060
66252-29-7*0
Benzene cation[C6H6]+ (g)c1ccc(cc1)[H+]992.51976.04± 0.25kJ/mol78.1113 ±
0.0048
34504-50-2*0
Dibromide[Br2]- (g)Br[Br-]-200.1-214.2± 2.0kJ/mol159.8085 ±
0.0020
12595-70-9*0
o-BenzyneC6H4 (g)C1=CC#CC=C1469.7460.8± 1.4kJ/mol76.0960 ±
0.0048
462-80-6*0
o-Benzyne anion[C6H4]- (g)C1=CC#CC=[CH-]1415.6407.0± 1.4kJ/mol76.0965 ±
0.0048
100569-88-8*0
Hydrogen fluorideHF (aq, 50 H2O)F-321.17± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*822
Trihydrogen dioxide anion[HOHOH]- (g)[OH][H][OH-]-487.26-495.52± 0.96kJ/mol35.02317 ±
0.00064
12501-19-8*0
PeroxyimidogenNOO (g)[N]O[O]409.4407.4± 1.6kJ/mol46.00554 ±
0.00060
*60488-31-5*0
1,2-Dibromoethane(CBrH2)2 (g)C(Br)CBr-10.9-37.7± 1.3kJ/mol187.8612 ±
0.0026
106-93-4*0
1,1-DichloroethaneCHCl2CH3 (g)CC(Cl)Cl-114.8-127.5± 1.1kJ/mol98.9586 ±
0.0024
75-34-3*0
Dioxygen difluoride cation[FOOF]+ (g, trans)FO[O+]F1291.41287.5± 4.6kJ/mol69.99506 ±
0.00060
*7783-44-0*1
Acetylene anion[HCCH]- (g, trans ?)C#[CH-]357.4357.2± 1.8kJ/mol26.0378 ±
0.0016
50443-89-5*1
1-Hydrazinylium-1-yl[H2NN]+ (g)[N+]N1145.21138.2± 1.5kJ/mol30.02881 ±
0.00020
63986-30-1*0
Methylammonium[CH3NH3]+ (g)C[NH3+]628.8609.7± 2.5kJ/mol32.06453 ±
0.00091
17000-00-9*0
Isodiazene anion[H2NN]- (g)[N-]N387.1380.2± 1.8kJ/mol30.02991 ±
0.00020
*63986-30-1*0
Oxygen atomO (g, triplet)[O]246.844249.229± 0.0021kJ/mol15.99940 ±
0.00030
17778-80-2*1
Iminomethyl anion[HCNH]- (g, cis)[CH-]=N254.2250.4± 1.9kJ/mol28.03387 ±
0.00082
90623-30-6*2
Hydrogen cyanide cation[HCN]+ (g)[CH+]#N1442.531442.06± 0.20kJ/mol27.02483 ±
0.00081
12601-62-6*0
Hydrogen fluorideHF (aq, 60 H2O)F-321.20± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*823
Hydrogen peroxide cation[H2O2]+ (g, cis)O[OH+]930.91924.05± 0.94kJ/mol34.01413 ±
0.00062
12325-10-9*2
Hydrogen bromideHBr (aq, 600 H2O)Br-120.32± 0.16kJ/mol80.9119 ±
0.0010
10035-10-6*834
Hydrogen fluorideHF (aq, 30 H2O)F-321.11± 0.17kJ/mol20.006343 ±
0.000070
7664-39-3*820
Methyleneoxonium cation[CH2OH2]+ (g)[CH2+].O828.6819.2± 1.6kJ/mol32.04131 ±
0.00090
*177788-17-9*0
Hydroxymethanide[CH2OH]- (g)[CH2-]O9.22.6± 1.5kJ/mol31.03447 ±
0.00088
55830-71-2*0
Formaldehyde cation[H2CO]+ (g)C=[O+]944.89941.27± 0.10kJ/mol30.02543 ±
0.00087
54288-05-0*0
Hydroxymethylene cation[HCOH]+ (g, cis)[CH+]O986.5982.9± 1.4kJ/mol30.02543 ±
0.00087
135395-06-1*2
Hydroxymethylene cation[HCOH]+ (g, gauche quartet)[CH+]O1481.61478.9± 1.7kJ/mol30.02543 ±
0.00087
135395-06-1*3
Hydroxymethylene anion[HCOH]- (g, cis)[CH-]O160.6157.9± 1.5kJ/mol30.02653 ±
0.00087
207914-87-2*2
Hydroxymethylene anion[HCOH]- (g, gauche quartet)[CH-]O333.6334.4± 1.8kJ/mol30.02653 ±
0.00087
207914-87-2*3
AquacarbonH2OC (g, triplet)[C].O441.4439.8± 2.1kJ/mol30.02598 ±
0.00087
81434-73-3*1
AquacarbonH2OC (g, singlet vdW)[C].O470.2468.1± 2.4kJ/mol30.02598 ±
0.00087
81434-73-3*102
HydroxylamineNH2OH (g, cis)NO-14.7-25.2± 1.5kJ/mol33.02996 ±
0.00037
7803-49-8*2
Hydroxylamine cation[NH2OH]+ (g)N[OH+]858.0848.1± 1.8kJ/mol33.02941 ±
0.00037
62675-55-2*0
Peroxyformic acidHC(O)OOH (g, trans)C(=O)OO-265.8-273.8± 1.7kJ/mol62.0248 ±
0.0012
107-32-4*2
Peroxyformic acidHC(O)OOH (g, gauche)C(=O)OO-265.7-273.5± 1.6kJ/mol62.0248 ±
0.0012
107-32-4*3
Hydrogen fluorideHF (aq, 10 H2O)