Hydrogen

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law 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

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Ttriple0.KN/ARoder, Childs, et al., 1973TRC
Ttriple13.95KN/AClusius and Weigand, 1940Uncertainty assigned by TRC = 0.06 K; see property X for dP/dT for c-l equil.; TRC
Ttriple13.96KN/AHenning and Otto, 1936Uncertainty assigned by TRC = 0.05 K; temperature measured with He gas thermometer; TRC
Quantity Value Units Method Reference Comment
Ptriple0.atmN/ARoder, Childs, et al., 1973TRC
Ptriple0.0712atmN/AHenning and Otto, 1936Uncertainty assigned by TRC = 0.0004 atm; TRC
Quantity Value Units Method Reference Comment
Tc33.18KN/AOnnes, Crommelin, et al., 1917Uncertainty assigned by TRC = 0.2 K; derived from P-V-T measurements; TRC
Quantity Value Units Method Reference Comment
Pc12.83atmN/AOnnes, Crommelin, et al., 1917Uncertainty assigned by TRC = 0.0117 atm; derived from vapor pressure extrapolated to Tc; TRC
Quantity Value Units Method Reference Comment
ρc15.4mol/lN/AOnnes, Crommelin, et al., 1917Uncertainty assigned by TRC = 2. mol/l; by extrapolation of rectilinear diameter to Tc; TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
21.01 to 32.273.5374399.3957.726van Itterbeek, Verbeke, et al., 1964Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00078500.LN/A 
0.00078640.QN/AOnly the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical.
0.00078490.LN/A 
0.00078 RN/A 

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Notes

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

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Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of organic reactions. VI. Heats of hydrogenation of some oxygen-containing compounds, J. Am. Chem. Soc., 1938, 60, 440-450. [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]

Rogers, Dejroongruang, et al., 1992
Rogers, D.W.; Dejroongruang, K.; Samuel, S.D.; Fang, W.; Zhao, Y., Enthalpies of hydrogenation of the octenes and the methylheptenes, J. Chem. Thermodyn., 1992, 24, 561-565. [all data]

Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A., Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids, J. Phys. Chem., 1975, 79, 574-577. [all data]

Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]

Sicher, Svoboda, et al., 1966
Sicher, J.; Svoboda, M.; Zavada, J.; Turner, R.B.; Goebel, P., Sterochemical studies - XXXVI. An approach to conformational analysis of medium ring compounds. Unsaturated ten-membered ring derivates, Tetrahedron, 1966, 22, 659-671. [all data]

Doering, Roth, et al., 1988
Doering, W.E.; Roth, W.R.; Breuckmann, R.; Figge, L.; Lennartz, H.-W.; Fessner, W.-D.; Prinzbach, F.H., Verbotene Reaktionen. - [2 + 2]-Cycloreversion starrer Cyclobutane, Chem. Ber., 1988, 121, 1-9. [all data]

Rogers, Choi, et al., 1980
Rogers, D.W.; Choi, L.S.; Girellini, R.S., Heats of hydrogenation and formation of quadricyclene, norbornadiene, norbornene, and nortricyclene, J. Phys. Chem., 1980, 84, 1810-1814. [all data]

Connett, 1972
Connett, J.E., Chemical equilibria. 5. Measurement of equilibrium constants for the dehydrogenation of propanol by a vapour flow technique, J. Chem. Thermodyn., 1972, 4, 233-237. [all data]

Buckley and Cox, 1967
Buckley, E.; Cox, J.D., Chemical equilibria. Part 2.-Dehydrogenation of propanol and butanol, Trans. Faraday Soc., 1967, 63, 895-901. [all data]

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


Notes

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