Hydrogen
- Formula: H2
- Molecular weight: 2.01588
- IUPAC Standard InChIKey: UFHFLCQGNIYNRP-UHFFFAOYSA-N
- CAS Registry Number: 1333-74-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Dihydrogen; o-Hydrogen; p-Hydrogen; Molecular hydrogen; H2; UN 1049; UN 1966
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- Information on this page:
- Other data available:
- Gas phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 551 to 600, reactions 601 to 621
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- Mass spectrum (electron ionization)
- Constants of diatomic molecules
- Fluid Properties
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 501 to 550
By formula: C7H14O = H2 + C7H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.9 ± 0.50 | kcal/mol | Eqk | Fedoseenko, Yursha, et al., 1983 | gas phase; At 488 K; ALS |
By formula: C7H14O = H2 + C7H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 ± 0.50 | kcal/mol | Eqk | Fedoseenko, Yursha, et al., 1983 | gas phase; At 488 K; ALS |
By formula: 2H2 + C17H12 = C17H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -61.0 ± 1.0 | kcal/mol | Chyd | Hill, Morton, et al., 1980 | liquid phase; ALS |
By formula: 3H2 + C8H12 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -76.1 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 4H2 + C12H18 = C12H26
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -131.2 ± 0.5 | kcal/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase; ALS |
By formula: 3H2 + C8H10 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -72.2 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: H2 + CH3Cl = CH4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -19.3 ± 0.1 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | gas phase; ALS |
By formula: H2 + C2H5Cl = C2H6 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.6 ± 0.1 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | gas phase; ALS |
By formula: 3H2 + C7H8 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -74.5 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C7H10 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -92.4 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C7H10 + H2 = C7H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -40.8 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 3H2 + C7H10 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -83.3 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C7H10 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -55.2 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 3H2 + C7H10 = C7H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -93.4 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: H2 + C8H12 = C8H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -71.6 ± 0.3 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C8H12 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -76.6 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 3H2 + C8H12 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -81.3 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: H2 + C10H14 = C10H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.5 ± 0.3 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C10H14 = C10H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -54.5 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C10H14 = C10H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -54.6 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C12H16 + 3H2 = C12H22
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -73.7 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C12H16 + 3H2 = C12H22
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -73.4 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
2 + = C12H20
By formula: 2H2 + C12H16 = C12H20
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -55.5 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C6H12O = C6H12 + H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 ± 0.55 | kcal/mol | Eqk | Fedoseenko, Yursha, et al., 1983 | gas phase; At 502 K; ALS |
By formula: 2H2 + C8H12 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -64.7 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C12H18 + 4H2 = C12H26
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -127.3 ± 0.7 | kcal/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase; ALS |
By formula: 3H2 + C4H4 = C4H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -100.8 ± 0.5 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C7H8 = C7H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -62.6 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 3H2 + C7H8 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -87.1 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: H2 + C7H10 = C7H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -39.4 ± 0.3 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C8H10 = C8H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -74.7 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C8H10 = C8H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -76.0 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C8H12 + H2 = C8H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.4 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C8H12 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -67.5 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
+ = C12H20
By formula: H2 + C12H18 = C12H20
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.7 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: C2H2Cl2 = H2 + C2Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.9 | kcal/mol | Kin | Laursen and Pimentel, 1989 | gas phase; Photolysis; ALS |
By formula: C3H7Br + H2 = HBr + C3H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.57 | kcal/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
By formula: H2 + C7H10 = C7H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.8 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C12H18 = C12H22
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -57.4 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
(cr) + C10H11ClZr (cr) = C16H15ClOZr (cr) + (g)
By formula: C6H6O (cr) + C10H11ClZr (cr) = C16H15ClOZr (cr) + H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.6 ± 1.0 | kcal/mol | RSC | Diogo, Simoni, et al., 1993 | MS |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.1 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: H2 + C6H12 = C6H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.28 ± 0.10 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase; ALS |
By formula: H2 + C6H12 = C6H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.67 ± 0.18 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase; ALS |
By formula: 4H2 + C8H10 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -139.7 ± 1.2 | kcal/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase; ALS |
By formula: H2 + C14H28 = C14H30
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.09 | kcal/mol | Chyd | Doering, Roth, et al., 1989 | liquid phase; ALS |
By formula: H2 + C4H8O2 = 2C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -17.92 ± 0.13 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
By formula: C4H4O4 + H2 = C4H6O4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -31.15 ± 0.03 | kcal/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase; ALS |
By formula: 3H2 + C6H6 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -78.9 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -40.8 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -52.9 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fedoseenko, Yursha, et al., 1983
Fedoseenko, V.I.; Yursha, I.A.; Kabo, G.Ya.,
Equilibrium and thermodynamics of cyclohexanol dehydrogenation reactions,
Dokl. Akad. Nauk BSSR, 1983, 27, 926-929. [all data]
Hill, Morton, et al., 1980
Hill, R.K.; Morton, G.H.; Rogers, D.W.; Choi, L.S.,
Rearrangement of 1,1'-spirobiindene and thermochemical evidence for its spiroconjugative destabilization,
J. Org. Chem., 1980, 45, 5163-5166. [all data]
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R.,
Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld,
Chem. Ber., 1991, 124, 2499-2521. [all data]
Flitcroft, Skinner, et al., 1957
Flitcroft, T.; Skinner, H.A.; Whiting, M.C.,
Heats of hydrogenation Part 1.-Dodeca-3:9 and -5:7 Diynes,
Trans. Faraday Soc., 1957, 53, 784-790. [all data]
Lacher, Emery, et al., 1956
Lacher, J.R.; Emery, E.; Bohmfalk, E.; Park, J.D.,
Reaction heats of organic compounds. IV. A high temperature calorimeter and the hydrogenation of methyl ethyl and vinyl chlorides,
J. Phys. Chem., 1956, 60, 492-495. [all data]
Laursen and Pimentel, 1989
Laursen, S.L.; Pimentel, G.C.,
Matrix-induced intersystem crossing in the photochemistry of the 1,2-dichloroethenes,
J. Phys. Chem., 1989, 93, 2328-2333. [all data]
Davies, Lacher, et al., 1965
Davies, J.; Lacher, J.R.; Park, J.D.,
Reaction heats of organic compounds. Part 4.-Heats of hydrogenation of n- and iso-Propyl bromides and chlorides,
Trans. Faraday Soc., 1965, 61, 2413-2416. [all data]
Diogo, Simoni, et al., 1993
Diogo, H.P.; Simoni, J.A.; Minas da Piedade, M.E.; Dias, A.R.; Martinho Simões, J.A.,
J. Am. Chem. Soc., 1993, 115, 2764. [all data]
Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K.,
Enthalpies of hydrogenation of the hexenes,
J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]
Doering, Roth, et al., 1989
Doering, W.E.; Roth, W.R.; Bauer, F.; Breuckmann, R.; Ebbrecht, T.; Herbold, M.; Schmidt, R.; Lennartz, H-W.; Lenoir, D.; Boese, R.,
Rotational barriers of strained olefines,
Chem. Ber., 1989, 122, 1263-1266. [all data]
Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M.,
Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups,
J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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