Hydrogen

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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
S°gas,1 bar130.680 ± 0.003J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
S°gas,1 bar130.68J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1000.1000. to 2500.2500. to 6000.
A 33.06617818.56308343.413560
B -11.36341712.257357-4.293079
C 11.432816-2.8597861.272428
D -2.7728740.268238-0.096876
E -0.1585581.977990-20.533862
F -9.980797-1.147438-38.515158
G 172.707974156.288133162.081354
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, Gas phase ion energetics 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.barN/ARoder, Childs, et al., 1973TRC
Ptriple0.0721barN/AHenning and Otto, 1936Uncertainty assigned by TRC = 0.0004 bar; 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
Pc13.00barN/AOnnes, Crommelin, et al., 1917Uncertainty assigned by TRC = 0.0119 bar; 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 (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
21.01 to 32.273.5431499.3957.726van 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, Gas phase ion energetics 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
ΔrH°19.7 ± 0.8kJ/molEqSRathke, Klingler, et al., 1992solvent: Supercritical carbon dioxide; Temperature range: 333-453 K. The results corrected for 1 atm pressure of H2 are 16.7 kJ/mol and -17.6 J/(mol K) Rathke, Klingler, et al., 1992; MS
ΔrH°13.0 ± 0.9kJ/molEqSBor, 1986solvent: n-Hexane; Temperature range: ca. 300-420 K; MS
ΔrH°26.4kJ/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 46.0 kJ/mol, respectively Alemdaroglu, Penninger, et al., 1976. A rather different value has, however, been reported for the activation enthalpy of the forward reaction, 104.6 kJ/mol Ungváry, 1972; MS
ΔrH°27.6kJ/molEqSAlemdaroglu, Penninger, et al., 1976solvent: n-Heptane; Temperature range: 353-428 K; MS
ΔrH°13.4kJ/molEqSUngváry, 1972solvent: n-Heptane; Temperature range: 307-428 K. The results corrected for 1 atm pressure of H2 are 18.0 kJ/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
ΔrH°29. ± 2.kJ/molAVGN/AAverage of 4 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°72.8 to 72.8J/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
ΔrH°-37.7 ± 9.6kJ/molES/KSPoë, Sampson, et al., 1993solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS
ΔrH°-77.4 ± 9.7kJ/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
ΔrH°-118. ± 6.kJ/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
ΔrH°-13.9 ± 4.0kJ/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), -98.3 ± 3.8 kJ/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
ΔrH°-15.1 ± 4.2kJ/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), -98.3 ± 3.8 kJ/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
ΔrH°-125. ± 3.kJ/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
ΔrH°14. ± 0.8kJ/molPHPMSHiraoka, 1987gas phase; M
ΔrH°13.kJ/molHPMSBeuhler, Ehrenson, et al., 1983gas phase; M
ΔrH°14.kJ/molHPMSBeuhler, Ehrenson, et al., 1983gas phase; deuterated; M
ΔrH°17.kJ/molPHPMSHiraoka and Kebarle, 1975gas phase; M
ΔrH°7.5kJ/molHPMSBennett and Field, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°72.8J/mol*KPHPMSHiraoka, 1987gas phase; M
ΔrS°70.7J/mol*KHPMSBeuhler, Ehrenson, et al., 1983gas phase; M
ΔrS°67.4J/mol*KHPMSBeuhler, Ehrenson, et al., 1983gas phase; deuterated; M
ΔrS°82.8J/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M
ΔrS°45.2J/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
ΔrH°-125. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

1-Octene + Hydrogen = Octane

By formula: C8H16 + H2 = C8H18

Quantity Value Units Method Reference Comment
ΔrH°-125. ± 6.kJ/molAVGN/AAverage of 7 values; Individual data points

Hydrogen anion + Hydrogen cation = Hydrogen

By formula: H- + H+ = H2

Quantity Value Units Method Reference Comment
ΔrH°1675.3kJ/molN/AShiell, Hu, et al., 2000gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol; B
ΔrH°1675.3kJ/molN/APratt, McCormack, et al., 1992gas phase; 399.46±0.01 kcal/mol at 0K; 0.94 correction, Gurvich, Veyts, et al.; B
ΔrH°1675.3kJ/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
ΔrG°1649.3 ± 0.42kJ/molH-TSShiell, Hu, et al., 2000gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol; B
ΔrG°1649.3kJ/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
ΔrH°-112.7 ± 0.54kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
ΔrH°-112. ± 0.8kJ/molChydRoth and Lennartz, 1980liquid phase; solvent: Cyclohexane; ALS
ΔrH°-109.0 ± 1.8kJ/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid; ALS
ΔrH°-110. ± 0.8kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS
ΔrH°-111.6 ± 0.3kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -112.6 ± 0.3 kJ/mol; At 355 °K; ALS

Hydrogen + Cyclooctene, (Z)- = Cyclooctane

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
ΔrH°-102.kJ/molChydDoering, Roth, et al., 1989liquid phase; ALS
ΔrH°-103. ± 0.8kJ/molChydRoth and Lennartz, 1980liquid phase; solvent: Cyclohexane; ALS
ΔrH°-96.40 ± 0.71kJ/molChydRogers, Von Voithenberg, et al., 1978liquid phase; solvent: Hexane; ALS
ΔrH°-96.1 ± 0.4kJ/molChydTurner and Meador, 1957liquid phase; solvent: Acetic acid; ALS
ΔrH°-97.40 ± 0.63kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -98.4 ± 0.2 kJ/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
ΔrH°-98.8 ± 2.7kJ/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), -41.4 ± 1.7 kJ/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), -140.2 ± 2.1 kJ/mol Wang, Rosini, et al., 1995. The enthalpy of solution of {Rh[P(i-Pr)3]2(Cl)}2(cr) was measured as 20.1 ± 1.3 kJ/mol Wang, Rosini, et al., 1995.; MS

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

By formula: H2 + C6H10 = C6H12

Quantity Value Units Method Reference Comment
ΔrH°-100.8 ± 0.63kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
ΔrH°-101.3 ± 0.50kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
ΔrH°-96.3 ± 0.2kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
ΔrH°-96.3 ± 0.2kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS
ΔrH°-96.3 ± 0.2kJ/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
ΔrH°-252. ± 2.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane; ALS
ΔrH°-253.9 ± 2.7kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
ΔrH°-251.8 ± 1.5kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS
ΔrH°-251.2 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -253.3 ± 0.63 kJ/mol; At 355 °K; ALS

Hydrogen + 1-Ethylcyclopentene = Cyclopentane, ethyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
ΔrH°-101.9 ± 0.63kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
ΔrH°-98.3 ± 0.8kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS
ΔrH°-98.58 ± 0.46kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
ΔrH°-98.58 ± 0.46kJ/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
ΔrH°-106.9 ± 0.4kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
ΔrH°-101. ± 0.8kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS
ΔrH°-104.1 ± 0.50kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
ΔrH°-104.1 ± 0.50kJ/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
ΔrH°-115.9 ± 0.96kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane; ALS
ΔrH°-112.5 ± 0.08kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
ΔrH°-112.3 ± 0.2kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS
ΔrH°-112.2 ± 0.3kJ/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
ΔrH°10.kJ/molPHPMSHiraoka and Kebarle, 1976gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/AHiraoka and Kebarle, 1976gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
4.170.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
ΔrH°82. ± 4.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(O K)=76.1 kJ/mol, ΔrS(300 K)=86.2 J/mol*K; M
Quantity Value Units Method Reference Comment
ΔrS°92.0J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(O K)=76.1 kJ/mol, ΔrS(300 K)=86.2 J/mol*K; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
73.2 (+9.6,-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
ΔrH°-126.6 ± 2.4kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
ΔrH°-125.0 ± 1.8kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Hexane; ALS
ΔrH°-122.6 ± 2.4kJ/molChydRogers and Skanupong, 1974liquid phase; solvent: Hexane; ALS
ΔrH°-119. ± 1.kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS

Cyclohexane, methylene- + Hydrogen = Cyclohexane, methyl-

By formula: C7H12 + H2 = C7H14

Quantity Value Units Method Reference Comment
ΔrH°-119.5 ± 0.65kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
ΔrH°-116.1 ± 0.54kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
ΔrH°-116.1 ± 0.54kJ/molEqkTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS
ΔrH°-120.1 ± 0.3kJ/molChydTurner and Garner, 1957, 2liquid phase; solvent: Acetic acid; ALS

Hydrogen + Cycloheptene = Cycloheptane

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
ΔrH°-110. ± 0.4kJ/molChydRoth and Lennartz, 1980liquid phase; solvent: Cyclohexane; ALS
ΔrH°-108.2 ± 0.4kJ/molChydTurner, Meador, et al., 1957liquid phase; solvent: Acetic acid; ALS
ΔrH°-108.9 ± 0.63kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -111.0 ± 0.08 kJ/mol; At 355 K; ALS

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

By formula: 3H2 + C7H8 = C7H14

Quantity Value Units Method Reference Comment
ΔrH°-305. ± 0.4kJ/molChydRoth, Klaerner, et al., 1983liquid phase; solvent: Isooctane; ALS
ΔrH°-294.9 ± 1.6kJ/molChydTurner, Meador, et al., 1957liquid phase; solvent: Acetic acid; ALS
ΔrH°-301.7 ± 1.3kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -304.8 ± 0.04 kJ/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
ΔrH°-231.4 ± 3.0kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane; ALS
ΔrH°-227.0 ± 2.8kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Hexane; ALS
ΔrH°-223.4 ± 0.63kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -225.4 ± 0.63 kJ/mol; At 355 °K; ALS

Pyridine + 3Hydrogen = Piperidine

By formula: C5H5N + 3H2 = C5H11N

Quantity Value Units Method Reference Comment
ΔrH°-193.8 ± 0.75kJ/molEqkHales and Herington, 1957gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -202.2 ± 0.75 kJ/mol; At 400-550 K; ALS
ΔrH°-193.0 ± 2.1kJ/molEqkBurrows and King, 1935liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -188.3 kJ/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
ΔrH°-107.kJ/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid; ALS
ΔrH°-112.9 ± 0.3kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -114.0 ± 0.3 kJ/mol; At 355 °K; ALS
ΔrH°-119.6 ± 3.3kJ/molChydCrawford and Parks, 1936liquid phase; ALS

Propene + Hydrogen = Propane

By formula: C3H6 + H2 = C3H8

Quantity Value Units Method Reference Comment
ΔrH°-123.4 ± 5.0kJ/molChydKistiakowsky and Nickle, 1951gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -124.9 ± 2.1 kJ/mol; ALS
ΔrH°-125.0 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -126.00 ± 0.054 kJ/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
ΔrS°95.8J/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° (kJ/mol) T (K) Method Reference Comment
73. (+3.,-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
ΔrH°-68.74 ± 0.42kJ/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
ΔrH°-55.23kJ/molEqkBuckley and Herington, 1965gas phase; ALS
ΔrH°-55.40 ± 0.42kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -56.1 ± 0.4 kJ/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
ΔrS°91.2J/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° (kJ/mol) T (K) Method Reference Comment
94.6 (+5.0,-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
ΔrH°-110. ± 1.kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon; ALS
ΔrH°-110.1 ± 0.2kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
ΔrH°-110.1 ± 0.2kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid; ALS

Hydrogen + trans-Cyclooctene = Cyclooctane

By formula: H2 + C8H14 = C8H16

Quantity Value Units Method Reference Comment
ΔrH°-144. ± 0.4kJ/molChydRoth, Adamczak, et al., 1991liquid phase; see Doering, Roth, et al., 1989; ALS
ΔrH°-144.0 ± 1.8kJ/molChydRogers, Von Voithenberg, et al., 1978liquid phase; solvent: Hexane; ALS
ΔrH°-134.9 ± 0.88kJ/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
ΔrH°75. ± 3.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=71.1 kJ/mol, ΔrS(300 K)=103. J/mol*K; M
Quantity Value Units Method Reference Comment
ΔrS°103.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=71.1 kJ/mol, ΔrS(300 K)=103. J/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
ΔrH°44. ± 2.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=40. kJ/mol, ΔrS(300 K)=85.8 J/mol*K; M
Quantity Value Units Method Reference Comment
ΔrS°85.8J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=40. kJ/mol, ΔrS(300 K)=85.8 J/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
ΔrH°44. ± 3.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=40. kJ/mol, ΔrS(300 K)=105. J/mol*K; M
Quantity Value Units Method Reference Comment
ΔrS°101.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=40. kJ/mol, ΔrS(300 K)=105. J/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
ΔrH°22. ± 3.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=18. kJ/mol, ΔrS(300 K)=91.6 J/mol*K; M
Quantity Value Units Method Reference Comment
ΔrS°94.1J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=18. kJ/mol, ΔrS(300 K)=91.6 J/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
ΔrH°20. ± 3.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=17. kJ/mol, ΔrS(300 K)=99.6 J/mol*K; M
Quantity Value Units Method Reference Comment
ΔrS°99.2J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=17. kJ/mol, ΔrS(300 K)=99.6 J/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
ΔrH°6. ± 3.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=3. kJ/mol; ΔrS(300 K)=75.3 J/mol*K; M
Quantity Value Units Method Reference Comment
ΔrS°75.3J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrH(0 K)=3. kJ/mol; ΔrS(300 K)=75.3 J/mol*K; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°7.2 ± 0.4kJ/molPHPMSHiraoka, 1987gas phase; M
ΔrH°10.kJ/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°74.9J/mol*KPHPMSHiraoka, 1987gas phase; M
ΔrS°80.8J/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
ΔrH°13. ± 0.4kJ/molPHPMSHiraoka, 1987gas phase; M
ΔrH°16.kJ/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°77.4J/mol*KPHPMSHiraoka, 1987gas phase; M
ΔrS°84.5J/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M

Hydrogen + 4-Octene, (Z)- = Octane

By formula: H2 + C8H16 = C8H18

Quantity Value Units Method Reference Comment
ΔrH°-118.2 ± 0.4kJ/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane; ALS
ΔrH°-119.7 ± 2.2kJ/molChydRogers and Siddiqui, 1975liquid phase; solvent: n-Hexane; ALS
ΔrH°-114.6 ± 0.59kJ/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
ΔrH°-268.7 ± 1.1kJ/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane; ALS
ΔrH°-262.8 ± 0.67kJ/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid; ALS
ΔrH°-263.kJ/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
ΔrH°-55.73kJ/molChydWiberg, Crocker, et al., 1991liquid phase; ALS
ΔrH°-53.14kJ/molChydWiberg, Crocker, et al., 1991solid phase; ALS
ΔrH°-39.0kJ/molChydWiberg, Crocker, et al., 1991gas phase; ALS
ΔrH°-53.14 ± 0.59kJ/molCmWiberg, Crocker, et al., 1991solid phase; ALS

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

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
ΔrH°-111.4 ± 0.37kJ/molChydRogers, Crooks, et al., 1987liquid phase; ALS
ΔrH°-106.3 ± 0.46kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid; ALS
ΔrH°-106.3 ± 0.46kJ/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
ΔrH°-208.9 ± 0.3kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS
ΔrH°-212.4 ± 0.63kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -214.5 ± 0.2 kJ/mol; At 355 K; ALS

Hydrogen + 2-Norbornene = Norbornane

By formula: H2 + C7H10 = C7H12

Quantity Value Units Method Reference Comment
ΔrH°-137. ± 0.4kJ/molChydDoering, Roth, et al., 1988gas phase; ALS
ΔrH°-141.5 ± 1.2kJ/molChydRogers, Choi, et al., 1980liquid phase; solvent: Hexane; Author was aware that data differs from previously reported values; ALS
ΔrH°-138.6 ± 0.88kJ/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
ΔrH°-84.3 ± 0.4kJ/molCmWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS
ΔrH°-69.55 ± 0.76kJ/molEqkConnett, 1972gas phase; At 473-524 K; ALS
ΔrH°-65.77 ± 0.67kJ/molChydBuckley and Cox, 1967gas phase; ALS

2Hydrogen + 1,3-Cyclohexadiene = Cyclohexane

By formula: 2H2 + C6H8 = C6H12

Quantity Value Units Method Reference Comment
ΔrH°-224.4 ± 1.2kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid; ALS
ΔrH°-229.6 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -231.7 ± 0.4 kJ/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
ΔrH°36.4 ± 1.3kJ/molEqSKlingler R.J. and Rathke, 1992solvent: Supercritical carbon dioxide; Temperature range: 373-463 K; MS

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to H2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)15.42593 ± 0.00005eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)422.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity394.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
15.425927EVALShiner, Gilligan, et al., 1993T = 0K; LL
15.425930EVALShiner, Gilligan, et al., 1993T = 0K; LL
15.425932 ± 0.000002SMcCormack, Gilligan, et al., 1989T = 0K; LL
15.429558 ± 0.00001LSGlab and Hessler, 1987T = 0K; LBLHLM
15.433174 ± 0.00001LSGlab and Hessler, 1987T = 0K; LBLHLM
15.425942 ± 0.00001LSGlab and Hessler, 1987T = 0K; LBLHLM
15.425932SEyler, Short, et al., 1986T = 0K; LBLHLM
15.425929SEyler, Short, et al., 1986T = 0K; LBLHLM
15.425930 ± 0.000027N/AEyler, Short, et al., 1986LBLHLM
15.5 ± 1.0SFarber, Srivastava, et al., 1982LBLHLM
15.98PEKimura, Katsumata, et al., 1981LLK
15.43PEBieri, Schmelzer, et al., 1980LLK
15.42589EVALHuber and Herzberg, 1979LLK
16. ± 1.EIFarber and Srivastava, 1977LLK
15.4PIRabalais, Debies, et al., 1974LLK
15.43PELee and Rabalais, 1974LLK
15.42589 ± 0.00005SHerzberg and Jungen, 1972LLK
15.4256 ± 0.0001STakezawa, 1970RDSH
15.38186 ± 0.00031PEAsbrink, 1970RDSH
15.44 ± 0.01EILossing and Semeluk, 1969RDSH
15.4256SHerzberg, 1969RDSH
15.431 ± 0.022TEVillarejo, 1968RDSH
15.439 ± 0.015PECollin and Natalis, 1968RDSH
15.43CICermak, 1968RDSH
15.37 ± 0.05EIKerwin, Marmet, et al., 1963RDSH
15.4269 ± 0.0016SBeutler and Junger, 1936RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
H+18.078 ± 0.003HPIPECOWeitzel, Mahnert, et al., 1994T = 0K; LL
H+18.0 ± 0.2HEICrowe and McConkey, 1973LLK
H+17.28 ± 0.16H-EILocht and Momigny, 1971LLK
H+17.3H-EICurran, LaboratoriesRDSH

De-protonation reactions

Hydrogen anion + Hydrogen cation = Hydrogen

By formula: H- + H+ = H2

Quantity Value Units Method Reference Comment
ΔrH°1675.3kJ/molN/AShiell, Hu, et al., 2000gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol; B
ΔrH°1675.3kJ/molN/APratt, McCormack, et al., 1992gas phase; 399.46±0.01 kcal/mol at 0K; 0.94 correction, Gurvich, Veyts, et al.; B
ΔrH°1675.3kJ/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
ΔrG°1649.3 ± 0.42kJ/molH-TSShiell, Hu, et al., 2000gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol; B
ΔrG°1649.3kJ/molH-TSLykke, Murray, et al., 1991gas phase; Reported: 6082.99±0.15 cm-1, or 0.754195(18) eV; B

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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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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]

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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]

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Fang, W.; Rogers, D.W., Enthalpy of hydrogenation of the hexadienes and cis- and trans-1,3,5-hexatriene, J. Org. Chem., 1992, 57, 2294-2297. [all data]

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Notes

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