Hydrogen

• Formula: H₂
• Molecular weight: 2.01588
• IUPAC Standard InChI: InChI=1S/H2/h1H Copy

  
• IUPAC Standard InChIKey: UFHFLCQGNIYNRP-UHFFFAOYSA-N Copy
• CAS Registry Number: 1333-74-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Isotopologues:
  • tritium
  • deuterium hydride
  • Deuterium
• Other names: Dihydrogen; o-Hydrogen; p-Hydrogen; Molecular hydrogen; H2; UN 1049; UN 1966
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• Information on this page:
  • Reaction thermochemistry data (reactions 1 to 50)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 501 to 550, reactions 551 to 600, reactions 601 to 621
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • Constants of diatomic molecules
  • Fluid Properties
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Reaction thermochemistry data

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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

 (solution) +  (solution) = 2 (solution)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	4.7 ± 0.2	kcal/mol	EqS	Rathke, Klingler, et al., 1992	solvent: 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
rH°	3.1 ± 0.2	kcal/mol	EqS	Bor, 1986	solvent: n-Hexane; Temperature range: ca. 300-420 K; MS
rH°	6.31	kcal/mol	KinS	Alemdaroglu, Penninger, et al., 1976	solvent: 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
rH°	6.60	kcal/mol	EqS	Alemdaroglu, Penninger, et al., 1976	solvent: n-Heptane; Temperature range: 353-428 K; MS
rH°	3.20	kcal/mol	EqS	Ungváry, 1972	solvent: 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⁺ +  = (H₃⁺  )

By formula: H₃⁺ + H₂ = (H₃⁺  H₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	6.9 ± 0.4	kcal/mol	AVG	N/A	Average of 4 out of 11 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
rS°	17.4 - 17.4	cal/mol*K	RNG	N/A	Range of 6 values; Individual data points

C₁₁H₂O₁₁Os (solution) +  (solution) =  (g) +  (solution)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	-9.0 ± 2.3	kcal/mol	ES/KS	Poë, Sampson, et al., 1993	solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS
rH°	-18.5 ± 2.3	kcal/mol	N/A	Poë, Sampson, et al., 1993	solvent: 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

 +  =

By formula: C₆H₁₀ + H₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
rH°	-28. ± 1.	kcal/mol	AVG	N/A	Average of 8 values; Individual data points

 (cr) +  (g) = 2C₈H₆CrO₃ (cr)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	-3.32 ± 0.96	kcal/mol	RSC	Landrum and Hoff, 1985	The 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
rH°	-3.6 ± 1.0	kcal/mol	DSC	Landrum and Hoff, 1985	The 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

 +  =

By formula: H₂ + C₆H₁₂ = C₆H₁₄

Quantity	Value	Units	Method	Reference	Comment
rH°	-30.0 ± 0.6	kcal/mol	AVG	N/A	Average of 8 values; Individual data points

(H₃⁺  ) +  = (H₃⁺  2)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	3.3 ± 0.2	kcal/mol	PHPMS	Hiraoka, 1987	gas phase; M
rH°	3.1	kcal/mol	HPMS	Beuhler, Ehrenson, et al., 1983	gas phase; M
rH°	3.4	kcal/mol	HPMS	Beuhler, Ehrenson, et al., 1983	gas phase; deuterated; M
rH°	4.1	kcal/mol	PHPMS	Hiraoka and Kebarle, 1975	gas phase; M
rH°	1.8	kcal/mol	HPMS	Bennett and Field, 1972	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
rS°	17.4	cal/mol*K	PHPMS	Hiraoka, 1987	gas phase; M
rS°	16.9	cal/mol*K	HPMS	Beuhler, Ehrenson, et al., 1983	gas phase; M
rS°	16.1	cal/mol*K	HPMS	Beuhler, Ehrenson, et al., 1983	gas phase; deuterated; M
rS°	19.8	cal/mol*K	PHPMS	Hiraoka and Kebarle, 1975	gas phase; M
rS°	10.8	cal/mol*K	HPMS	Bennett and Field, 1972	gas phase; Entropy change is questionable; M

 +  =

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
rH°	-29.8 ± 0.5	kcal/mol	AVG	N/A	Average of 6 values; Individual data points

 +  =

By formula: C₈H₁₆ + H₂ = C₈H₁₈

Quantity	Value	Units	Method	Reference	Comment
rH°	-30. ± 2.	kcal/mol	AVG	N/A	Average of 7 values; Individual data points

 +  =

By formula: H^- + H⁺ = H₂

Quantity	Value	Units	Method	Reference	Comment
rH°	400.40	kcal/mol	N/A	Shiell, Hu, et al., 2000	gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol; B
rH°	400.40	kcal/mol	N/A	Pratt, McCormack, et al., 1992	gas phase; 399.46±0.01 kcal/mol at 0K; 0.94 correction, Gurvich, Veyts, et al.; B
rH°	400.40	kcal/mol	D-EA	Lykke, Murray, et al., 1991	gas phase; Reported: 6082.99±0.15 cm-1, or 0.754195(18) eV; B
Quantity	Value	Units	Method	Reference	Comment
rG°	394.20 ± 0.10	kcal/mol	H-TS	Shiell, Hu, et al., 2000	gas phase; Given: 139714.8±1 cm-1 at 0K, or 399.465±0.003 kcal/mol; B
rG°	394.20	kcal/mol	H-TS	Lykke, Murray, et al., 1991	gas phase; Reported: 6082.99±0.15 cm-1, or 0.754195(18) eV; B

 +  =

By formula: H₂ + C₅H₈ = C₅H₁₀

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

 +  =

By formula: H₂ + C₈H₁₄ = C₈H₁₆

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

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	-23.6 ± 0.65	kcal/mol	RSC	Wang, Rosini, et al., 1995	solvent: 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

 +  =

By formula: H₂ + C₆H₁₀ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
rH°	-24.09 ± 0.15	kcal/mol	Chyd	Rogers, Crooks, et al., 1987	liquid phase; ALS
rH°	-24.22 ± 0.12	kcal/mol	Chyd	Allinger, Dodziuk, et al., 1982	liquid phase; solvent: Hexane; ALS
rH°	-23.01 ± 0.04	kcal/mol	Chyd	Turner and Garner, 1958	liquid phase; solvent: Acetic acid; ALS
rH°	-23.01 ± 0.04	kcal/mol	Chyd	Turner and Garner, 1957	liquid phase; solvent: Acetic acid; ALS
rH°	-23.01 ± 0.04	kcal/mol	Chyd	Turner and Garner, 1957, 2	liquid phase; solvent: Acetic acid; ALS

2 +  =

By formula: 2H₂ + C₆H₁₀ = C₆H₁₄

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

 +  =

By formula: H₂ + C₇H₁₂ = C₇H₁₄

Quantity	Value	Units	Method	Reference	Comment
rH°	-24.36 ± 0.15	kcal/mol	Chyd	Allinger, Dodziuk, et al., 1982	liquid phase; solvent: Hexane; ALS
rH°	-23.5 ± 0.2	kcal/mol	Chyd	Rogers and McLafferty, 1971	liquid phase; solvent: Hydrocarbon; ALS
rH°	-23.56 ± 0.11	kcal/mol	Chyd	Turner and Garner, 1958	liquid phase; solvent: Acetic acid; ALS
rH°	-23.56 ± 0.11	kcal/mol	Chyd	Turner and Garner, 1957	liquid phase; solvent: Acetic acid; ALS

 +  =

By formula: H₂ + C₇H₁₂ = C₇H₁₄

Quantity	Value	Units	Method	Reference	Comment
rH°	-25.6 ± 0.1	kcal/mol	Chyd	Allinger, Dodziuk, et al., 1982	liquid phase; solvent: Hexane; ALS
rH°	-24.2 ± 0.2	kcal/mol	Chyd	Rogers and McLafferty, 1971	liquid phase; solvent: Hydrocarbon; ALS
rH°	-24.88 ± 0.12	kcal/mol	Chyd	Turner and Garner, 1958	liquid phase; solvent: Acetic acid; ALS
rH°	-24.88 ± 0.12	kcal/mol	Chyd	Turner and Garner, 1957	liquid phase; solvent: Acetic acid; ALS

 +  =

By formula: H₂ + C₆H₁₀ = C₆H₁₂

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

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + H₂ = (C₃H₇⁺  H₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.5	kcal/mol	PHPMS	Hiraoka and Kebarle, 1976	gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Hiraoka and Kebarle, 1976	gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
0.9	170.	PHPMS	Hiraoka and Kebarle, 1976	gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M

 +  = (  )

By formula: Co⁺ + H₂ = (Co⁺  H₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	20. ± 1.	kcal/mol	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(O K)=18.2 kcal/mol, «DELTA»rS(300 K)=20.6 cal/mol*K; M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.0	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(O K)=18.2 kcal/mol, «DELTA»rS(300 K)=20.6 cal/mol*K; M

Enthalpy of reaction

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

 +  =

By formula: C₅H₁₀ + H₂ = C₅H₁₂

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

 +  =

By formula: C₇H₁₂ + H₂ = C₇H₁₄

Quantity	Value	Units	Method	Reference	Comment
rH°	-28.56 ± 0.16	kcal/mol	Chyd	Rogers, Crooks, et al., 1987	liquid phase; ALS
rH°	-27.75 ± 0.13	kcal/mol	Chyd	Turner and Garner, 1958	liquid phase; solvent: Acetic acid; ALS
rH°	-27.75 ± 0.13	kcal/mol	Eqk	Turner and Garner, 1957	liquid phase; solvent: Acetic acid; ALS
rH°	-28.70 ± 0.07	kcal/mol	Chyd	Turner and Garner, 1957, 2	liquid phase; solvent: Acetic acid; ALS

 +  =

By formula: H₂ + C₇H₁₂ = C₇H₁₄

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

3 +  =

By formula: 3H₂ + C₇H₈ = C₇H₁₄

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

2 +  =

By formula: 2H₂ + C₆H₁₀ = C₆H₁₄

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

 + 3 =

By formula: C₅H₅N + 3H₂ = C₅H₁₁N

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

 +  =

By formula: C₈H₁₆ + H₂ = C₈H₁₈

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

 +  =

By formula: C₃H₆ + H₂ = C₃H₈

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

(  ) +  = (    )

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

Quantity	Value	Units	Method	Reference	Comment
rS°	22.9	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993, 2	gas phase; switching reaction(Co+).2H2, «DELTA»rS(440 K); Kemper, Bushnell, et al., 1993; M

Enthalpy of reaction

rH° (kcal/mol)	T (K)	Method	Reference	Comment
17.4 (+0.8,-0.)		SIDT	Kemper, Bushnell, et al., 1993, 2	gas phase; switching reaction(Co+).2H2, «DELTA»rS(440 K); Kemper, Bushnell, et al., 1993; M

 +  =

By formula: H₂ + C₃H₆O = C₃H₈O

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

(  ) +  = (    )

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

Quantity	Value	Units	Method	Reference	Comment
rS°	21.8	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993, 2	gas phase; switching reaction(Co+)2H2, «DELTA»rS(440 K); Kemper, Bushnell, et al., 1993; M

Enthalpy of reaction

rH° (kcal/mol)	T (K)	Method	Reference	Comment
22.6 (+1.2,-0.)		SIDT	Kemper, Bushnell, et al., 1993, 2	gas phase; switching reaction(Co+)2H2, «DELTA»rS(440 K); Kemper, Bushnell, et al., 1993; M

 +  =

By formula: C₈H₁₄ + H₂ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
rH°	-26.2 ± 0.3	kcal/mol	Chyd	Rogers and McLafferty, 1971	liquid phase; solvent: Hydrocarbon; ALS
rH°	-26.32 ± 0.04	kcal/mol	Chyd	Turner and Garner, 1958	liquid phase; solvent: Acetic acid; ALS
rH°	-26.32 ± 0.04	kcal/mol	Chyd	Turner and Garner, 1957	liquid phase; solvent: Acetic acid; ALS

 +  =

By formula: H₂ + C₈H₁₄ = C₈H₁₆

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

(  ) +  = (  2)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	18.0 ± 0.6	kcal/mol	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=17.0 kcal/mol, «DELTA»rS(300 K)=24.5 cal/mol*K; M
Quantity	Value	Units	Method	Reference	Comment
rS°	24.5	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=17.0 kcal/mol, «DELTA»rS(300 K)=24.5 cal/mol*K; M

(  2) +  = (  3)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	10.6 ± 0.4	kcal/mol	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=9.6 kcal/mol, «DELTA»rS(300 K)=20.5 cal/mol*K; M
Quantity	Value	Units	Method	Reference	Comment
rS°	20.5	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=9.6 kcal/mol, «DELTA»rS(300 K)=20.5 cal/mol*K; M

(  3) +  = (  4)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	10.4 ± 0.6	kcal/mol	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=9.6 kcal/mol, «DELTA»rS(300 K)=25.2 cal/mol*K; M
Quantity	Value	Units	Method	Reference	Comment
rS°	24.2	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=9.6 kcal/mol, «DELTA»rS(300 K)=25.2 cal/mol*K; M

(  4) +  = (  5)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	5.2 ± 0.6	kcal/mol	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=4.3 kcal/mol, «DELTA»rS(300 K)=21.9 cal/mol*K; M
Quantity	Value	Units	Method	Reference	Comment
rS°	22.5	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=4.3 kcal/mol, «DELTA»rS(300 K)=21.9 cal/mol*K; M

(  5) +  = (  6)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	4.7 ± 0.6	kcal/mol	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=4.0 kcal/mol, «DELTA»rS(300 K)=23.8 cal/mol*K; M
Quantity	Value	Units	Method	Reference	Comment
rS°	23.7	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=4.0 kcal/mol, «DELTA»rS(300 K)=23.8 cal/mol*K; M

(  6) +  = (  7)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	1.5 ± 0.7	kcal/mol	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=0.8 kcal/mol; «DELTA»rS(300 K)=18.0 cal/mol*K; M
Quantity	Value	Units	Method	Reference	Comment
rS°	18.0	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; «DELTA»rH(0 K)=0.8 kcal/mol; «DELTA»rS(300 K)=18.0 cal/mol*K; M

(H₃⁺  3) +  = (H₃⁺  4)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	1.7 ± 0.1	kcal/mol	PHPMS	Hiraoka, 1987	gas phase; M
rH°	2.4	kcal/mol	PHPMS	Hiraoka and Kebarle, 1975	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	17.9	cal/mol*K	PHPMS	Hiraoka, 1987	gas phase; M
rS°	19.3	cal/mol*K	PHPMS	Hiraoka and Kebarle, 1975	gas phase; M

(H₃⁺  2) +  = (H₃⁺  3)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	3.2 ± 0.1	kcal/mol	PHPMS	Hiraoka, 1987	gas phase; M
rH°	3.8	kcal/mol	PHPMS	Hiraoka and Kebarle, 1975	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	18.5	cal/mol*K	PHPMS	Hiraoka, 1987	gas phase; M
rS°	20.2	cal/mol*K	PHPMS	Hiraoka and Kebarle, 1975	gas phase; M

 +  =

By formula: H₂ + C₈H₁₆ = C₈H₁₈

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

2 +  =

By formula: 2H₂ + C₈H₁₄ = C₈H₁₈

Quantity	Value	Units	Method	Reference	Comment
rH°	-64.22 ± 0.26	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane; ALS
rH°	-62.80 ± 0.16	kcal/mol	Chyd	Turner, Jarrett, et al., 1973	liquid phase; solvent: Acetic acid; ALS
rH°	-62.8	kcal/mol	Chyd	Sicher, Svoboda, et al., 1966	liquid phase; solvent: Acetic acid; ALS

 +  =

By formula: H₂ + C₈H₁₄O = C₈H₁₆O

Quantity	Value	Units	Method	Reference	Comment
rH°	-13.32	kcal/mol	Chyd	Wiberg, Crocker, et al., 1991	liquid phase; ALS
rH°	-12.70	kcal/mol	Chyd	Wiberg, Crocker, et al., 1991	solid phase; ALS
rH°	-9.31	kcal/mol	Chyd	Wiberg, Crocker, et al., 1991	gas phase; ALS
rH°	-12.70 ± 0.14	kcal/mol	Cm	Wiberg, Crocker, et al., 1991	solid phase; ALS

 +  =

By formula: H₂ + C₇H₁₂ = C₇H₁₄

Quantity	Value	Units	Method	Reference	Comment
rH°	-26.63 ± 0.088	kcal/mol	Chyd	Rogers, Crooks, et al., 1987	liquid phase; ALS
rH°	-25.41 ± 0.11	kcal/mol	Chyd	Turner and Garner, 1958	liquid phase; solvent: Acetic acid; ALS
rH°	-25.41 ± 0.11	kcal/mol	Chyd	Turner and Garner, 1957	liquid phase; solvent: Acetic acid; ALS

2 +  =

By formula: 2H₂ + C₇H₁₀ = C₇H₁₄

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

 +  =

By formula: H₂ + C₇H₁₀ = C₇H₁₂

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

 +  =

By formula: C₃H₆O + H₂ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
rH°	-20.14 ± 0.09	kcal/mol	Cm	Wiberg, Crocker, et al., 1991	liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS
rH°	-16.62 ± 0.18	kcal/mol	Eqk	Connett, 1972	gas phase; At 473-524 K; ALS
rH°	-15.72 ± 0.16	kcal/mol	Chyd	Buckley and Cox, 1967	gas phase; ALS

2 +  =

By formula: 2H₂ + C₆H₈ = C₆H₁₂

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

 (solution) +  (solution) = 2 (solution)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	8.70 ± 0.31	kcal/mol	EqS	Klingler R.J. and Rathke, 1992	solvent: Supercritical carbon dioxide; Temperature range: 373-463 K; MS

References

Go To: Top, Reaction thermochemistry data, Notes

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

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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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• Symbols used in this document:
  

  T	Temperature
  rG°	Free energy of reaction at standard conditions
  rH°	Enthalpy of reaction at standard conditions
  rS°	Entropy of reaction at standard conditions

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