Hydrogen
- Formula: H2
- Molecular weight: 2.01588
- IUPAC Standard InChIKey: UFHFLCQGNIYNRP-UHFFFAOYSA-N
- CAS Registry Number: 1333-74-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Dihydrogen; o-Hydrogen; p-Hydrogen; Molecular hydrogen; H2; UN 1049; UN 1966
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- 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
- Ion clustering data
- Mass spectrum (electron ionization)
- Constants of diatomic molecules
- Fluid Properties
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Reaction thermochemistry data
Go To: Top, 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
(solution) + (solution) = 2 (solution)
By formula: C8Co2O8 (solution) + H2 (solution) = 2C4HCoO4 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.7 ± 0.8 | kJ/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 16.7 kJ/mol and -17.6 J/(mol K) Rathke, Klingler, et al., 1992; MS |
ΔrH° | 13.0 ± 0.9 | kJ/mol | EqS | Bor, 1986 | solvent: n-Hexane; Temperature range: ca. 300-420 K; MS |
ΔrH° | 26.4 | kJ/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 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° | 27.6 | kJ/mol | EqS | Alemdaroglu, Penninger, et al., 1976 | solvent: n-Heptane; Temperature range: 353-428 K; MS |
ΔrH° | 13.4 | kJ/mol | EqS | Ungváry, 1972 | solvent: 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 |
By formula: H3+ + H2 = (H3+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29. ± 2. | kJ/mol | AVG | N/A | Average of 4 out of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 72.8 to 72.8 | J/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 |
---|---|---|---|---|---|
ΔrH° | -37.7 ± 9.6 | kJ/mol | ES/KS | Poë, Sampson, et al., 1993 | solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS |
ΔrH° | -77.4 ± 9.7 | kJ/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 |
---|---|---|---|---|---|
ΔrH° | -118. ± 6. | kJ/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 |
---|---|---|---|---|---|
ΔrH° | -13.9 ± 4.0 | kJ/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), -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 ± 4.2 | kJ/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), -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 |
By formula: H2 + C6H12 = C6H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -125. ± 3. | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
By formula: (H3+ • H2) + H2 = (H3+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 0.8 | kJ/mol | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrH° | 13. | kJ/mol | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; M |
ΔrH° | 14. | kJ/mol | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; deuterated; M |
ΔrH° | 17. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrH° | 7.5 | kJ/mol | HPMS | Bennett and Field, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 72.8 | J/mol*K | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrS° | 70.7 | J/mol*K | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; M |
ΔrS° | 67.4 | J/mol*K | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; deuterated; M |
ΔrS° | 82.8 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrS° | 45.2 | J/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 |
---|---|---|---|---|---|
ΔrH° | -125. ± 2. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
By formula: C8H16 + H2 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -125. ± 6. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1675.3 | kJ/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 |
ΔrH° | 1675.3 | kJ/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 |
ΔrH° | 1675.3 | kJ/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 |
ΔrG° | 1649.3 ± 0.42 | kJ/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 |
ΔrG° | 1649.3 | kJ/mol | H-TS | 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 |
---|---|---|---|---|---|
ΔrH° | -112.7 ± 0.54 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -112. ± 0.8 | kJ/mol | Chyd | Roth and Lennartz, 1980 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -109.0 ± 1.8 | kJ/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -110. ± 0.8 | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -111.6 ± 0.3 | kJ/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -112.6 ± 0.3 kJ/mol; At 355 °K; ALS |
By formula: H2 + C8H14 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -102. | kJ/mol | Chyd | Doering, Roth, et al., 1989 | liquid phase; ALS |
ΔrH° | -103. ± 0.8 | kJ/mol | Chyd | Roth and Lennartz, 1980 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -96.40 ± 0.71 | kJ/mol | Chyd | Rogers, Von Voithenberg, et al., 1978 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -96.1 ± 0.4 | kJ/mol | Chyd | Turner and Meador, 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -97.40 ± 0.63 | kJ/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -98.4 ± 0.2 kJ/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 |
---|---|---|---|---|---|
ΔrH° | -98.8 ± 2.7 | kJ/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), -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 |
By formula: H2 + C6H10 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -100.8 ± 0.63 | kJ/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase; ALS |
ΔrH° | -101.3 ± 0.50 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -96.3 ± 0.2 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -96.3 ± 0.2 | kJ/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -96.3 ± 0.2 | kJ/mol | Chyd | Turner and Garner, 1957, 2 | liquid phase; solvent: Acetic acid; ALS |
By formula: 2H2 + C6H10 = C6H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -252. ± 2. | kJ/mol | Chyd | Fang and Rogers, 1992 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -253.9 ± 2.7 | kJ/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Dioxane; ALS |
ΔrH° | -251.8 ± 1.5 | kJ/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
ΔrH° | -251.2 ± 0.42 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -253.3 ± 0.63 kJ/mol; At 355 °K; ALS |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -101.9 ± 0.63 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -98.3 ± 0.8 | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -98.58 ± 0.46 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -98.58 ± 0.46 | kJ/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -106.9 ± 0.4 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -101. ± 0.8 | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -104.1 ± 0.50 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -104.1 ± 0.50 | kJ/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
By formula: H2 + C6H10 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -115.9 ± 0.96 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -112.5 ± 0.08 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -112.3 ± 0.2 | kJ/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -112.2 ± 0.3 | kJ/mol | Chyd | Turner and Garner, 1957, 2 | liquid phase; solvent: Acetic acid; ALS |
By formula: C3H7+ + H2 = (C3H7+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Hiraoka and Kebarle, 1976 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4. | 170. | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
By formula: Co+ + H2 = (Co+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82. ± 4. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(O K)=76.1 kJ/mol, ΔrS(300 K)=86.2 J/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.0 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas 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.) | CID | Haynes and Armentrout, 1996 | gas phase; guided ion beam CID; M |
By formula: C5H10 + H2 = C5H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -126.6 ± 2.4 | kJ/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Dioxane; ALS |
ΔrH° | -125.0 ± 1.8 | kJ/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -122.6 ± 2.4 | kJ/mol | Chyd | Rogers and Skanupong, 1974 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -119. ± 1. | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
By formula: C7H12 + H2 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -119.5 ± 0.65 | kJ/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase; ALS |
ΔrH° | -116.1 ± 0.54 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -116.1 ± 0.54 | kJ/mol | Eqk | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -120.1 ± 0.3 | kJ/mol | Chyd | Turner and Garner, 1957, 2 | liquid phase; solvent: Acetic acid; ALS |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -110. ± 0.4 | kJ/mol | Chyd | Roth and Lennartz, 1980 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -108.2 ± 0.4 | kJ/mol | Chyd | Turner, Meador, et al., 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -108.9 ± 0.63 | kJ/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -111.0 ± 0.08 kJ/mol; At 355 K; ALS |
By formula: 3H2 + C7H8 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -305. ± 0.4 | kJ/mol | Chyd | Roth, Klaerner, et al., 1983 | liquid phase; solvent: Isooctane; ALS |
ΔrH° | -294.9 ± 1.6 | kJ/mol | Chyd | Turner, Meador, et al., 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -301.7 ± 1.3 | kJ/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -304.8 ± 0.04 kJ/mol; at 355 K; ALS |
By formula: 2H2 + C6H10 = C6H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -231.4 ± 3.0 | kJ/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Dioxane; ALS |
ΔrH° | -227.0 ± 2.8 | kJ/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -223.4 ± 0.63 | kJ/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -225.4 ± 0.63 kJ/mol; At 355 °K; ALS |
By formula: C5H5N + 3H2 = C5H11N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -193.8 ± 0.75 | kJ/mol | Eqk | Hales and Herington, 1957 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -202.2 ± 0.75 kJ/mol; At 400-550 K; ALS |
ΔrH° | -193.0 ± 2.1 | kJ/mol | Eqk | Burrows and King, 1935 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -188.3 kJ/mol; At 423-443 K; ALS |
By formula: C8H16 + H2 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -107. | kJ/mol | Chyd | Turner, Nettleton, et al., 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -112.9 ± 0.3 | kJ/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -114.0 ± 0.3 kJ/mol; At 355 °K; ALS |
ΔrH° | -119.6 ± 3.3 | kJ/mol | Chyd | Crawford and Parks, 1936 | liquid phase; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -123.4 ± 5.0 | kJ/mol | Chyd | Kistiakowsky and Nickle, 1951 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -124.9 ± 2.1 kJ/mol; ALS |
ΔrH° | -125.0 ± 0.42 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1935 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -126.00 ± 0.054 kJ/mol; At 355 °K; ALS |
By formula: (Co+ • CH4) + H2 = (Co+ • H2 • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 95.8 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993, 2 | gas 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.) | SIDT | Kemper, Bushnell, et al., 1993, 2 | gas phase; switching reaction(Co+).2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993; M |
By formula: H2 + C3H6O = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -68.74 ± 0.42 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -55.23 | kJ/mol | Eqk | Buckley and Herington, 1965 | gas phase; ALS |
ΔrH° | -55.40 ± 0.42 | kJ/mol | Chyd | Dolliver, Gresham, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -56.1 ± 0.4 kJ/mol; At 355 °K; ALS |
By formula: (Co+ • H2) + CH4 = (Co+ • CH4 • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 91.2 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993, 2 | gas 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.) | SIDT | Kemper, Bushnell, et al., 1993, 2 | gas phase; switching reaction(Co+)2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993; M |
By formula: C8H14 + H2 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -110. ± 1. | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -110.1 ± 0.2 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -110.1 ± 0.2 | kJ/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
By formula: H2 + C8H14 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -144. ± 0.4 | kJ/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; see Doering, Roth, et al., 1989; ALS |
ΔrH° | -144.0 ± 1.8 | kJ/mol | Chyd | Rogers, Von Voithenberg, et al., 1978 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -134.9 ± 0.88 | kJ/mol | Chyd | Turner and Meador, 1957 | liquid phase; solvent: Acetic acid; ALS |
By formula: (Co+ • H2) + H2 = (Co+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 75. ± 3. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas 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*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=71.1 kJ/mol, ΔrS(300 K)=103. J/mol*K; M |
By formula: (Co+ • 2H2) + H2 = (Co+ • 3H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44. ± 2. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=40. kJ/mol, ΔrS(300 K)=85.8 J/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.8 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=40. kJ/mol, ΔrS(300 K)=85.8 J/mol*K; M |
By formula: (Co+ • 3H2) + H2 = (Co+ • 4H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44. ± 3. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas 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*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=40. kJ/mol, ΔrS(300 K)=105. J/mol*K; M |
By formula: (Co+ • 4H2) + H2 = (Co+ • 5H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22. ± 3. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=18. kJ/mol, ΔrS(300 K)=91.6 J/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.1 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=18. kJ/mol, ΔrS(300 K)=91.6 J/mol*K; M |
By formula: (Co+ • 5H2) + H2 = (Co+ • 6H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 3. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=17. kJ/mol, ΔrS(300 K)=99.6 J/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 99.2 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=17. kJ/mol, ΔrS(300 K)=99.6 J/mol*K; M |
By formula: (Co+ • 6H2) + H2 = (Co+ • 7H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6. ± 3. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=3. kJ/mol; ΔrS(300 K)=75.3 J/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 75.3 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=3. kJ/mol; ΔrS(300 K)=75.3 J/mol*K; M |
By formula: (H3+ • 3H2) + H2 = (H3+ • 4H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 ± 0.4 | kJ/mol | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrH° | 10. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 74.9 | J/mol*K | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrS° | 80.8 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
By formula: (H3+ • 2H2) + H2 = (H3+ • 3H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 0.4 | kJ/mol | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrH° | 16. | kJ/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 77.4 | J/mol*K | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrS° | 84.5 | J/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -118.2 ± 0.4 | kJ/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -119.7 ± 2.2 | kJ/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane; ALS |
ΔrH° | -114.6 ± 0.59 | kJ/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid; ALS |
By formula: 2H2 + C8H14 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -268.7 ± 1.1 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -262.8 ± 0.67 | kJ/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -263. | kJ/mol | Chyd | Sicher, Svoboda, et al., 1966 | liquid phase; solvent: Acetic acid; ALS |
By formula: H2 + C8H14O = C8H16O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -55.73 | kJ/mol | Chyd | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -53.14 | kJ/mol | Chyd | Wiberg, Crocker, et al., 1991 | solid phase; ALS |
ΔrH° | -39.0 | kJ/mol | Chyd | Wiberg, Crocker, et al., 1991 | gas phase; ALS |
ΔrH° | -53.14 ± 0.59 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | solid phase; ALS |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -111.4 ± 0.37 | kJ/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase; ALS |
ΔrH° | -106.3 ± 0.46 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -106.3 ± 0.46 | kJ/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
By formula: 2H2 + C7H10 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -208.9 ± 0.3 | kJ/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
ΔrH° | -212.4 ± 0.63 | kJ/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -214.5 ± 0.2 kJ/mol; At 355 K; ALS |
By formula: H2 + C7H10 = C7H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -137. ± 0.4 | kJ/mol | Chyd | Doering, Roth, et al., 1988 | gas phase; ALS |
ΔrH° | -141.5 ± 1.2 | kJ/mol | Chyd | Rogers, Choi, et al., 1980 | liquid phase; solvent: Hexane; Author was aware that data differs from previously reported values; ALS |
ΔrH° | -138.6 ± 0.88 | kJ/mol | Chyd | Turner, Meador, et al., 1957 | liquid phase; solvent: Acetic acid; ALS |
By formula: C3H6O + H2 = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -84.3 ± 0.4 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS |
ΔrH° | -69.55 ± 0.76 | kJ/mol | Eqk | Connett, 1972 | gas phase; At 473-524 K; ALS |
ΔrH° | -65.77 ± 0.67 | kJ/mol | Chyd | Buckley and Cox, 1967 | gas phase; ALS |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -224.4 ± 1.2 | kJ/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
ΔrH° | -229.6 ± 0.42 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -231.7 ± 0.4 kJ/mol; At 355 °K; ALS |
(solution) + (solution) = 2 (solution)
By formula: C10Mn2O10 (solution) + H2 (solution) = 2C5HMnO5 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.4 ± 1.3 | kJ/mol | EqS | Klingler R.J. and Rathke, 1992 | solvent: Supercritical carbon dioxide; Temperature range: 373-463 K; MS |
Gas phase ion energetics 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.
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 ± 0.00005 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 422.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 394.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
H+ | 18.078 ± 0.003 | H | PIPECO | Weitzel, Mahnert, et al., 1994 | T = 0K; LL |
H+ | 18.0 ± 0.2 | H | EI | Crowe and McConkey, 1973 | LLK |
H+ | 17.28 ± 0.16 | H- | EI | Locht and Momigny, 1971 | LLK |
H+ | 17.3 | H- | EI | Curran, Laboratories | RDSH |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1675.3 | kJ/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 |
ΔrH° | 1675.3 | kJ/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 |
ΔrH° | 1675.3 | kJ/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 |
ΔrG° | 1649.3 ± 0.42 | kJ/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 |
ΔrG° | 1649.3 | kJ/mol | H-TS | Lykke, Murray, et al., 1991 | gas phase; Reported: 6082.99±0.15 cm-1, or 0.754195(18) eV; B |
References
Go To: Top, 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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Notes
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- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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