Hydrogen

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
gas,1 bar31.2333 ± 0.0007cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar31.233cal/mol*KReviewChase, 1998Data last reviewed in March, 1977

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1000.1000. to 2500.2500. to 6000.
A 7.9030064.43668310.376090
B -2.7159222.929578-1.026071
C 2.732508-0.6835050.304117
D -0.6627330.064110-0.023154
E -0.0378960.472751-4.907711
F -2.385468-0.274244-9.205344
G 41.27819637.35376038.738373
H 0.00.00.0
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment Data last reviewed in March, 1977; New parameter fit October 2001 Data last reviewed in March, 1977; New parameter fit October 2001 Data last reviewed in March, 1977; New parameter fit October 2001

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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:
MS - José A. Martinho Simões
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess

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 1 to 50

Dicobalt octacarbonyl (solution) + Hydrogen (solution) = 2Cobalt, tetracarbonylhydro- (solution)

By formula: C8Co2O8 (solution) + H2 (solution) = 2C4HCoO4 (solution)

Quantity Value Units Method Reference Comment
Δr4.7 ± 0.2kcal/molEqSRathke, Klingler, et al., 1992solvent: Supercritical carbon dioxide; Temperature range: 333-453 K. The results corrected for 1 atm pressure of H2 are 3.99 kcal/mol and -17.6 J/(mol K) Rathke, Klingler, et al., 1992; MS
Δr3.1 ± 0.2kcal/molEqSBor, 1986solvent: n-Hexane; Temperature range: ca. 300-420 K; MS
Δr6.31kcal/molKinSAlemdaroglu, Penninger, et al., 1976solvent: n-Heptane; The reaction enthalpy relies on the experimental values for the forward and reverse activation enthalpies, 72.4 and 11.0 kcal/mol, respectively Alemdaroglu, Penninger, et al., 1976. A rather different value has, however, been reported for the activation enthalpy of the forward reaction, 25.00 kcal/mol Ungváry, 1972; MS
Δr6.60kcal/molEqSAlemdaroglu, Penninger, et al., 1976solvent: n-Heptane; Temperature range: 353-428 K; MS
Δr3.20kcal/molEqSUngváry, 1972solvent: n-Heptane; Temperature range: 307-428 K. The results corrected for 1 atm pressure of H2 are 4.30 kcal/mol and -10.9 J/(mol K) Rathke, Klingler, et al., 1992; MS

H3+ + Hydrogen = (H3+ • Hydrogen)

By formula: H3+ + H2 = (H3+ • H2)

Quantity Value Units Method Reference Comment
Δr6.9 ± 0.4kcal/molAVGN/AAverage of 4 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δr17.4 to 17.4cal/mol*KRNGN/ARange of 6 values; Individual data points

C11H2O11Os (solution) + Carbon monoxide (solution) = Hydrogen (g) + Osmium, dodecacarbonyltri-, triangulo (solution)

By formula: C11H2O11Os (solution) + CO (solution) = H2 (g) + C12O12Os3 (solution)

Quantity Value Units Method Reference Comment
Δr-9.0 ± 2.3kcal/molES/KSPoë, Sampson, et al., 1993solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS
Δr-18.5 ± 2.3kcal/molN/APoë, Sampson, et al., 1993solvent: Decalin; Calculated from data for the reactions Os3(CO)10(H)2(solution) + CO(solution) = Os3(CO)11(H)2(solution) (hrxn [kJ/mol]=-39.7±1.3, srxn [J/(mol K)]=-80.3±3.8) and Os3(CO)11(H)2(solution) + CO(solution) = Os3(CO)12(solution) + H2(g) (hrxn [kJ/mol]=-37.7±9.6, srxn [J/(mol K)]=-32.6±27.6) Poë, Sampson, et al., 1993.; MS

Cyclohexene + Hydrogen = Cyclohexane

By formula: C6H10 + H2 = C6H12

Quantity Value Units Method Reference Comment
Δr-28. ± 1.kcal/molAVGN/AAverage of 8 values; Individual data points

Chromium, hexacarbonylbis(η5-2,4-cyclopentadien-1-yl)di-, (Cr-Cr) (cr) + Hydrogen (g) = 2C8H6CrO3 (cr)

By formula: C16H10Cr2O6 (cr) + H2 (g) = 2C8H6CrO3 (cr)

Quantity Value Units Method Reference Comment
Δr-3.32 ± 0.96kcal/molRSCLandrum and Hoff, 1985The reaction enthalpy was obtained from the value for the reaction 2Cr(Cp)(CO)3(H)(cr) + 1,3-cy-C6H8(solution) = [Cr(Cp)(CO)3]2(cr) + cy-C6H10(solution), -23.5 ± 0.91 kcal/mol Landrum and Hoff, 1985, together with the calculated enthalpy for 1,3-cy-C6H8(l) + H2(g) = cy-C6H10(l), -112.2±1.3 Pedley, 1994. It was assumed that 1,3-cy-C6H8 and cy-C6H10 have similar solution enthalpies in heptane; MS
Δr-3.6 ± 1.0kcal/molDSCLandrum and Hoff, 1985The reaction enthalpy was obtained from the value for the reaction 2Cr(Cp)(CO)3(H)(cr) + 1,3-cy-C6H8(solution) = [Cr(Cp)(CO)3]2(cr) + cy-C6H10(solution), -23.5 ± 0.91 kcal/mol Landrum and Hoff, 1985, together with the calculated enthalpy for 1,3-cy-C6H8(l) + H2(g) = cy-C6H10(l), -112.2±1.3 Pedley, 1994. It was assumed that 1,3-cy-C6H8 and cy-C6H10 have similar solution enthalpies in heptane; MS

Hydrogen + 1-Hexene = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-30.0 ± 0.6kcal/molAVGN/AAverage of 8 values; Individual data points

(H3+ • Hydrogen) + Hydrogen = (H3+ • 2Hydrogen)

By formula: (H3+ • H2) + H2 = (H3+ • 2H2)

Quantity Value Units Method Reference Comment
Δr3.3 ± 0.2kcal/molPHPMSHiraoka, 1987gas phase; M
Δr3.1kcal/molHPMSBeuhler, Ehrenson, et al., 1983gas phase; M
Δr3.4kcal/molHPMSBeuhler, Ehrenson, et al., 1983gas phase; deuterated; M
Δr4.1kcal/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Δr1.8kcal/molHPMSBennett and Field, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr17.4cal/mol*KPHPMSHiraoka, 1987gas phase; M
Δr16.9cal/mol*KHPMSBeuhler, Ehrenson, et al., 1983gas phase; M
Δr16.1cal/mol*KHPMSBeuhler, Ehrenson, et al., 1983gas phase; deuterated; M
Δr19.8cal/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M
Δr10.8cal/mol*KHPMSBennett and Field, 1972gas phase; Entropy change is questionable; M

Hydrogen + 1-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Δr-29.8 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

1-Octene + Hydrogen = Octane

By formula: C8H16 + H2 = C8H18

Quantity Value Units Method Reference Comment
Δr-30. ± 2.kcal/molAVGN/AAverage of 7 values; Individual data points

Hydrogen anion + Hydrogen cation = Hydrogen

By formula: H- + H+ = H2

Quantity Value Units Method Reference Comment
Δr400.40kcal/molN/AShiell, Hu, et al., 2000gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol; B
Δr400.40kcal/molN/APratt, McCormack, et al., 1992gas phase; 399.46±0.01 kcal/mol at 0K; 0.94 correction, Gurvich, Veyts, et al.; B
Δr400.40kcal/molD-EALykke, Murray, et al., 1991gas phase; Reported: 6082.99±0.15 cm-1, or 0.754195(18) eV; B
Quantity Value Units Method Reference Comment
Δr394.20 ± 0.10kcal/molH-TSShiell, Hu, et al., 2000gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol; B
Δr394.20kcal/molH-TSLykke, Murray, et al., 1991gas phase; Reported: 6082.99±0.15 cm-1, or 0.754195(18) eV; B

Hydrogen + Cyclopentene = Cyclopentane

By formula: H2 + C5H8 = C5H10

Quantity Value Units Method Reference Comment
Δr-26.94 ± 0.13kcal/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
Δr-26.8 ± 0.2kcal/molChydRoth and Lennartz, 1980liquid phase; solvent: Cyclohexane; ALS
Δr-26.04 ± 0.44kcal/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid; ALS
Δr-26.2 ± 0.2kcal/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS
Δr-26.67 ± 0.06kcal/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -26.92 ± 0.06 kcal/mol; At 355 °K; ALS

Hydrogen + Cyclooctene, (Z)- = Cyclooctane

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
Δr-24.3kcal/molChydDoering, Roth, et al., 1989liquid phase; ALS
Δr-24.5 ± 0.2kcal/molChydRoth and Lennartz, 1980liquid phase; solvent: Cyclohexane; ALS
Δr-23.04 ± 0.17kcal/molChydRogers, Von Voithenberg, et al., 1978liquid phase; solvent: Hexane; ALS
Δr-23.0 ± 0.1kcal/molChydTurner and Meador, 1957liquid phase; solvent: Acetic acid; ALS
Δr-23.28 ± 0.15kcal/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -23.53 ± 0.04 kcal/mol; At 355 K; ALS

0.5C36H84Cl2P4Rh2 (solution) + Hydrogen (g) = C18H44ClP2Rh (solution)

By formula: 0.5C36H84Cl2P4Rh2 (solution) + H2 (g) = C18H44ClP2Rh (solution)

Quantity Value Units Method Reference Comment
Δr-23.6 ± 0.65kcal/molRSCWang, Rosini, et al., 1995solvent: Benzene; The reaction enthalpy was calculated from the enthalpies of the reactions Rh[P(i-Pr)3]2(Cl)(H)2(solution) + t-BuNC(solution) = Rh[P(i-Pr)3]2(Cl)(CN-t-Bu)(solution) + H2(g), -9.89 ± 0.41 kcal/mol, and 0.5{Rh[P(i-Pr)3]2(Cl)}2(solution) + t-BuNC(solution) = Rh[P(i-Pr)3]2(Cl)(CN-t-Bu)(solution), -33.51 ± 0.50 kcal/mol Wang, Rosini, et al., 1995. The enthalpy of solution of {Rh[P(i-Pr)3]2(Cl)}2(cr) was measured as 4.80 ± 0.31 kcal/mol Wang, Rosini, et al., 1995.; MS

Hydrogen + Cyclopentene, 1-methyl- = Cyclopentane, methyl-

By formula: H2 + C6H10 = C6H12

Quantity Value Units Method Reference Comment
Δr-24.09 ± 0.15kcal/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Δr-24.22 ± 0.12kcal/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
Δr-23.01 ± 0.04kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
Δr-23.01 ± 0.04kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS
Δr-23.01 ± 0.04kcal/molChydTurner and Garner, 1957, 2liquid phase; solvent: Acetic acid; ALS

2Hydrogen + 1,5-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-60.3 ± 0.4kcal/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS
Δr-60.69 ± 0.65kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
Δr-60.17 ± 0.37kcal/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS
Δr-60.03 ± 0.10kcal/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -60.53 ± 0.15 kcal/mol; At 355 °K; ALS

Hydrogen + 1-Ethylcyclopentene = Cyclopentane, ethyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Δr-24.36 ± 0.15kcal/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
Δr-23.5 ± 0.2kcal/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS
Δr-23.56 ± 0.11kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
Δr-23.56 ± 0.11kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS

Hydrogen + Cyclopentane, ethylidene- = Cyclopentane, ethyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Δr-25.6 ± 0.1kcal/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
Δr-24.2 ± 0.2kcal/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS
Δr-24.88 ± 0.12kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
Δr-24.88 ± 0.12kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS

Hydrogen + Cyclopentane, methylene- = Cyclopentane, methyl-

By formula: H2 + C6H10 = C6H12

Quantity Value Units Method Reference Comment
Δr-27.70 ± 0.23kcal/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
Δr-26.88 ± 0.02kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
Δr-26.85 ± 0.05kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS
Δr-26.82 ± 0.08kcal/molChydTurner and Garner, 1957, 2liquid phase; solvent: Acetic acid; ALS

C3H7+ + Hydrogen = (C3H7+ • Hydrogen)

By formula: C3H7+ + H2 = (C3H7+ • H2)

Quantity Value Units Method Reference Comment
Δr2.5kcal/molPHPMSHiraoka and Kebarle, 1976gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka and Kebarle, 1976gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
0.9170.PHPMSHiraoka and Kebarle, 1976gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M

Cobalt ion (1+) + Hydrogen = (Cobalt ion (1+) • Hydrogen)

By formula: Co+ + H2 = (Co+ • H2)

Quantity Value Units Method Reference Comment
Δr20. ± 1.kcal/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(O K)=18.2 kcal/mol, ΔrS(300 K)=20.6 cal/mol*K; M
Quantity Value Units Method Reference Comment
Δr22.0cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(O K)=18.2 kcal/mol, ΔrS(300 K)=20.6 cal/mol*K; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
17.5 (+2.3,-0.) CIDHaynes and Armentrout, 1996gas phase; guided ion beam CID; M

1-Pentene + Hydrogen = Pentane

By formula: C5H10 + H2 = C5H12

Quantity Value Units Method Reference Comment
Δr-30.27 ± 0.58kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
Δr-29.87 ± 0.42kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Hexane; ALS
Δr-29.30 ± 0.57kcal/molChydRogers and Skanupong, 1974liquid phase; solvent: Hexane; ALS
Δr-28.5 ± 0.3kcal/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS

Cyclohexane, methylene- + Hydrogen = Cyclohexane, methyl-

By formula: C7H12 + H2 = C7H14

Quantity Value Units Method Reference Comment
Δr-28.56 ± 0.16kcal/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Δr-27.75 ± 0.13kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
Δr-27.75 ± 0.13kcal/molEqkTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS
Δr-28.70 ± 0.07kcal/molChydTurner and Garner, 1957, 2liquid phase; solvent: Acetic acid; ALS

Hydrogen + Cycloheptene = Cycloheptane

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Δr-26.4 ± 0.1kcal/molChydRoth and Lennartz, 1980liquid phase; solvent: Cyclohexane; ALS
Δr-25.85 ± 0.09kcal/molChydTurner, Meador, et al., 1957liquid phase; solvent: Acetic acid; ALS
Δr-26.02 ± 0.15kcal/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -26.52 ± 0.02 kcal/mol; At 355 K; ALS

3Hydrogen + 1,3,5-Cycloheptatriene = Cycloheptane

By formula: 3H2 + C7H8 = C7H14

Quantity Value Units Method Reference Comment
Δr-72.8 ± 0.1kcal/molChydRoth, Klaerner, et al., 1983liquid phase; solvent: Isooctane; ALS
Δr-70.49 ± 0.39kcal/molChydTurner, Meador, et al., 1957liquid phase; solvent: Acetic acid; ALS
Δr-72.11 ± 0.30kcal/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -72.85 ± 0.01 kcal/mol; at 355 K; ALS

2Hydrogen + 1,3-Butadiene, 2,3-dimethyl- = Butane, 2,3-dimethyl-

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-55.31 ± 0.72kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
Δr-54.26 ± 0.67kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Hexane; ALS
Δr-53.39 ± 0.15kcal/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -53.87 ± 0.15 kcal/mol; At 355 °K; ALS

Pyridine + 3Hydrogen = Piperidine

By formula: C5H5N + 3H2 = C5H11N

Quantity Value Units Method Reference Comment
Δr-46.31 ± 0.18kcal/molEqkHales and Herington, 1957gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -48.32 ± 0.18 kcal/mol; At 400-550 K; ALS
Δr-46.12 ± 0.50kcal/molEqkBurrows and King, 1935liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -45.00 kcal/mol; At 423-443 K; ALS

1-Pentene, 2,4,4-trimethyl- + Hydrogen = Pentane, 2,2,4-trimethyl-

By formula: C8H16 + H2 = C8H18

Quantity Value Units Method Reference Comment
Δr-25.5kcal/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid; ALS
Δr-26.99 ± 0.06kcal/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -27.24 ± 0.06 kcal/mol; At 355 °K; ALS
Δr-28.58 ± 0.80kcal/molChydCrawford and Parks, 1936liquid phase; ALS

Propene + Hydrogen = Propane

By formula: C3H6 + H2 = C3H8

Quantity Value Units Method Reference Comment
Δr-29.5 ± 1.2kcal/molChydKistiakowsky and Nickle, 1951gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.85 ± 0.50 kcal/mol; ALS
Δr-29.87 ± 0.10kcal/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -30.115 ± 0.013 kcal/mol; At 355 °K; ALS

(Cobalt ion (1+) • Methane) + Hydrogen = (Cobalt ion (1+) • Hydrogen • Methane)

By formula: (Co+ • CH4) + H2 = (Co+ • H2 • CH4)

Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KSIDTKemper, Bushnell, et al., 1993, 2gas phase; switching reaction(Co+).2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
17.4 (+0.8,-0.) SIDTKemper, Bushnell, et al., 1993, 2gas phase; switching reaction(Co+).2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993; M

Hydrogen + Acetone = Isopropyl Alcohol

By formula: H2 + C3H6O = C3H8O

Quantity Value Units Method Reference Comment
Δr-16.43 ± 0.10kcal/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
Δr-13.20kcal/molEqkBuckley and Herington, 1965gas phase; ALS
Δr-13.24 ± 0.10kcal/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -13.4 ± 0.1 kcal/mol; At 355 °K; ALS

(Cobalt ion (1+) • Hydrogen) + Methane = (Cobalt ion (1+) • Methane • Hydrogen)

By formula: (Co+ • H2) + CH4 = (Co+ • CH4 • H2)

Quantity Value Units Method Reference Comment
Δr21.8cal/mol*KSIDTKemper, Bushnell, et al., 1993, 2gas phase; switching reaction(Co+)2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
22.6 (+1.2,-0.) SIDTKemper, Bushnell, et al., 1993, 2gas phase; switching reaction(Co+)2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993; M

Cyclohexane, ethylidene- + Hydrogen = Cyclohexane, ethyl-

By formula: C8H14 + H2 = C8H16

Quantity Value Units Method Reference Comment
Δr-26.2 ± 0.3kcal/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS
Δr-26.32 ± 0.04kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
Δr-26.32 ± 0.04kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS

Hydrogen + trans-Cyclooctene = Cyclooctane

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
Δr-34.5 ± 0.1kcal/molChydRoth, Adamczak, et al., 1991liquid phase; see Doering, Roth, et al., 1989; ALS
Δr-34.41 ± 0.43kcal/molChydRogers, Von Voithenberg, et al., 1978liquid phase; solvent: Hexane; ALS
Δr-32.24 ± 0.21kcal/molChydTurner and Meador, 1957liquid phase; solvent: Acetic acid; ALS

(Cobalt ion (1+) • Hydrogen) + Hydrogen = (Cobalt ion (1+) • 2Hydrogen)

By formula: (Co+ • H2) + H2 = (Co+ • 2H2)

Quantity Value Units Method Reference Comment
Δr18.0 ± 0.6kcal/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=17.0 kcal/mol, ΔrS(300 K)=24.5 cal/mol*K; M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=17.0 kcal/mol, ΔrS(300 K)=24.5 cal/mol*K; M

(Cobalt ion (1+) • 2Hydrogen) + Hydrogen = (Cobalt ion (1+) • 3Hydrogen)

By formula: (Co+ • 2H2) + H2 = (Co+ • 3H2)

Quantity Value Units Method Reference Comment
Δr10.6 ± 0.4kcal/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=20.5 cal/mol*K; M
Quantity Value Units Method Reference Comment
Δr20.5cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=20.5 cal/mol*K; M

(Cobalt ion (1+) • 3Hydrogen) + Hydrogen = (Cobalt ion (1+) • 4Hydrogen)

By formula: (Co+ • 3H2) + H2 = (Co+ • 4H2)

Quantity Value Units Method Reference Comment
Δr10.4 ± 0.6kcal/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=25.2 cal/mol*K; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=25.2 cal/mol*K; M

(Cobalt ion (1+) • 4Hydrogen) + Hydrogen = (Cobalt ion (1+) • 5Hydrogen)

By formula: (Co+ • 4H2) + H2 = (Co+ • 5H2)

Quantity Value Units Method Reference Comment
Δr5.2 ± 0.6kcal/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=4.3 kcal/mol, ΔrS(300 K)=21.9 cal/mol*K; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=4.3 kcal/mol, ΔrS(300 K)=21.9 cal/mol*K; M

(Cobalt ion (1+) • 5Hydrogen) + Hydrogen = (Cobalt ion (1+) • 6Hydrogen)

By formula: (Co+ • 5H2) + H2 = (Co+ • 6H2)

Quantity Value Units Method Reference Comment
Δr4.7 ± 0.6kcal/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=4.0 kcal/mol, ΔrS(300 K)=23.8 cal/mol*K; M
Quantity Value Units Method Reference Comment
Δr23.7cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=4.0 kcal/mol, ΔrS(300 K)=23.8 cal/mol*K; M

(Cobalt ion (1+) • 6Hydrogen) + Hydrogen = (Cobalt ion (1+) • 7Hydrogen)

By formula: (Co+ • 6H2) + H2 = (Co+ • 7H2)

Quantity Value Units Method Reference Comment
Δr1.5 ± 0.7kcal/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=0.8 kcal/mol; ΔrS(300 K)=18.0 cal/mol*K; M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=0.8 kcal/mol; ΔrS(300 K)=18.0 cal/mol*K; M

(H3+ • 3Hydrogen) + Hydrogen = (H3+ • 4Hydrogen)

By formula: (H3+ • 3H2) + H2 = (H3+ • 4H2)

Quantity Value Units Method Reference Comment
Δr1.7 ± 0.1kcal/molPHPMSHiraoka, 1987gas phase; M
Δr2.4kcal/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Quantity Value Units Method Reference Comment
Δr17.9cal/mol*KPHPMSHiraoka, 1987gas phase; M
Δr19.3cal/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M

(H3+ • 2Hydrogen) + Hydrogen = (H3+ • 3Hydrogen)

By formula: (H3+ • 2H2) + H2 = (H3+ • 3H2)

Quantity Value Units Method Reference Comment
Δr3.2 ± 0.1kcal/molPHPMSHiraoka, 1987gas phase; M
Δr3.8kcal/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Quantity Value Units Method Reference Comment
Δr18.5cal/mol*KPHPMSHiraoka, 1987gas phase; M
Δr20.2cal/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M

Hydrogen + 4-Octene, (Z)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
Δr-28.25 ± 0.1kcal/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane; ALS
Δr-28.62 ± 0.52kcal/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane; ALS
Δr-27.39 ± 0.14kcal/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid; ALS

2Hydrogen + 4-Octyne = Octane

By formula: 2H2 + C8H14 = C8H18

Quantity Value Units Method Reference Comment
Δr-64.22 ± 0.26kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS
Δr-62.80 ± 0.16kcal/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid; ALS
Δr-62.8kcal/molChydSicher, Svoboda, et al., 1966liquid phase; solvent: Acetic acid; ALS

Hydrogen + Cyclooctanone = Cyclooctyl alcohol

By formula: H2 + C8H14O = C8H16O

Quantity Value Units Method Reference Comment
Δr-13.32kcal/molChydWiberg, Crocker, et al., 1991liquid phase; ALS
Δr-12.70kcal/molChydWiberg, Crocker, et al., 1991solid phase; ALS
Δr-9.31kcal/molChydWiberg, Crocker, et al., 1991gas phase; ALS
Δr-12.70 ± 0.14kcal/molCmWiberg, Crocker, et al., 1991solid phase; ALS

Hydrogen + Cyclohexene, 1-methyl- = Cyclohexane, methyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Δr-26.63 ± 0.088kcal/molChydRogers, Crooks, et al., 1987liquid phase; ALS
Δr-25.41 ± 0.11kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
Δr-25.41 ± 0.11kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS

2Hydrogen + 1,3-Cycloheptadiene = Cycloheptane

By formula: 2H2 + C7H10 = C7H14

Quantity Value Units Method Reference Comment
Δr-49.92 ± 0.08kcal/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS
Δr-50.77 ± 0.15kcal/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -51.26 ± 0.05 kcal/mol; At 355 K; ALS

Hydrogen + 2-Norbornene = Norbornane

By formula: H2 + C7H10 = C7H12

Quantity Value Units Method Reference Comment
Δr-32.8 ± 0.1kcal/molChydDoering, Roth, et al., 1988gas phase; ALS
Δr-33.82 ± 0.28kcal/molChydRogers, Choi, et al., 1980liquid phase; solvent: Hexane; Author was aware that data differs from previously reported values; ALS
Δr-33.13 ± 0.21kcal/molChydTurner, Meador, et al., 1957liquid phase; solvent: Acetic acid; ALS

Propanal + Hydrogen = 1-Propanol

By formula: C3H6O + H2 = C3H8O

Quantity Value Units Method Reference Comment
Δr-20.14 ± 0.09kcal/molCmWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS
Δr-16.62 ± 0.18kcal/molEqkConnett, 1972gas phase; At 473-524 K; ALS
Δr-15.72 ± 0.16kcal/molChydBuckley and Cox, 1967gas phase; ALS

2Hydrogen + 1,3-Cyclohexadiene = Cyclohexane

By formula: 2H2 + C6H8 = C6H12

Quantity Value Units Method Reference Comment
Δr-53.64 ± 0.29kcal/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS
Δr-54.88 ± 0.10kcal/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -55.4 ± 0.1 kcal/mol; At 355 °K; ALS

Dimanganese decacarbonyl (solution) + Hydrogen (solution) = 2Hydromanganese pentacarbonyl (solution)

By formula: C10Mn2O10 (solution) + H2 (solution) = 2C5HMnO5 (solution)

Quantity Value Units Method Reference Comment
Δr8.70 ± 0.31kcal/molEqSKlingler R.J. and Rathke, 1992solvent: Supercritical carbon dioxide; Temperature range: 373-463 K; MS

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Rathke, Klingler, et al., 1992
Rathke, J.W.; Klingler, R.J.; Krause, T.R., Organometallics, 1992, 11, 585. [all data]

Bor, 1986
Bor, G., Pure & Appl. Chem., 1986, 58, 543. [all data]

Alemdaroglu, Penninger, et al., 1976
Alemdaroglu, N.H.; Penninger, J.M.L.; Oltay, E., Monatsh. Chem., 1976, 107, 1043. [all data]

Ungváry, 1972
Ungváry, F., J. Organometal. Chem., 1972, 36, 363. [all data]

Poë, Sampson, et al., 1993
Poë, A.J.; Sampson, C.N.; Smith, R.T.; Zheng, Y., J. Am. Chem. Soc., 1993, 115, 3174. [all data]

Landrum and Hoff, 1985
Landrum, J.T.; Hoff, C.D., J. Organometal. Chem., 1985, 282, 215. [all data]

Pedley, 1994
Pedley, J.B., Thermodynamic Data and Structures of Organic Compounds; Thermodynamics Research Center Data Series, Vol I, Thermodynamics Research Center, College Station, 1994. [all data]

Hiraoka, 1987
Hiraoka, K., A Determination of the Stabilities of H3+(H2)n with n=1-9 from Measurements of the gas-Phase Ion Equilibria H3+(H2)n-1 + H2 = H3+(H2)n, J. Chem. Phys., 1987, 87, 7, 4048, https://doi.org/10.1063/1.452909 . [all data]

Beuhler, Ehrenson, et al., 1983
Beuhler, R.J.; Ehrenson, S.; Friedman, L., Hydrogen Cluster Ion Equilibria, J. Chem. Phys., 1983, 79, 12, 5982, https://doi.org/10.1063/1.445781 . [all data]

Hiraoka and Kebarle, 1975
Hiraoka, K.; Kebarle, P., A Determination of the Stabilities of H5+, H7+, H9+, and H11+ from Measurement of the Gas Phase Ion Equilibria Hn+ + H2 = H(n + 2)+ (n = 3, 5, 7, 9), J. Chem. Phys., 1975, 62, 6, 2267, https://doi.org/10.1063/1.430751 . [all data]

Bennett and Field, 1972
Bennett, S.L.; Field, F.H., Reversible Reactions of Gaseous Ions. VII. The Hydrogen System, J. Am. Chem. Soc., 1972, 94, 25, 8669, https://doi.org/10.1021/ja00780a003 . [all data]

Shiell, Hu, et al., 2000
Shiell, R.C.; Hu, X.K.; Hu, Q.C.J.; Hepburn, J.W., Threshold Ion-pair Production spectroscopy (TIPPS) of H2 and D2, Faraday Disc. Chem. Soc., 2000, 115, 331, https://doi.org/10.1039/a909428h . [all data]

Pratt, McCormack, et al., 1992
Pratt, S.T.; McCormack, E.F.; Dehmer, J.L.; Dehmer, P.M., Field-Induced Ion-Pair Formation in Molecular Hydrogen, Phys. Rev. Lett., 1992, 68, 5, 584, https://doi.org/10.1103/PhysRevLett.68.584 . [all data]

Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B., Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]

Lykke, Murray, et al., 1991
Lykke, K.R.; Murray, K.K.; Lineberger, W.C., Threshold Photodetachment of H-, Phys. Rev. A, 1991, 43, 11, 6104, https://doi.org/10.1103/PhysRevA.43.6104 . [all data]

Allinger, Dodziuk, et al., 1982
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Roth and Lennartz, 1980
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Turner, Jarrett, et al., 1973
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Rogers and McLafferty, 1971
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Dolliver, Gresham, et al., 1937
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Cox and Pilcher, 1970
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Doering, Roth, et al., 1989
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Rogers, Von Voithenberg, et al., 1978
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Turner and Meador, 1957
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Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes, J. Am. Chem. Soc., 1939, 61, 1868-1876. [all data]

Wang, Rosini, et al., 1995
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Rogers, Crooks, et al., 1987
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Turner and Garner, 1958
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Turner and Garner, 1957
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Kistiakowsky, Ruhoff, et al., 1936
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Hiraoka, K.; Kebarle, P., Stabilities and Energetics of Pentacoordinated Carbonium Ions. The Isomeric C2H7+ Ions and Some Higher Analogues: C3H9+ and C4H11+, J. Am. Chem. Soc., 1976, 98, 20, 6119, https://doi.org/10.1021/ja00436a009 . [all data]

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Klingler R.J.; Rathke, J.W., Inorg. Chem., 1992, 31, 804. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References