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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- Information on this page:
- Other data available:
- 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
- Mass spectrum (electron ionization)
- Constants of diatomic molecules
- Fluid Properties
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 bar | 31.2333 ± 0.0007 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 31.233 | cal/mol*K | Review | Chase, 1998 | Data 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 | 7.903006 | 4.436683 | 10.376090 |
B | -2.715922 | 2.929578 | -1.026071 |
C | 2.732508 | -0.683505 | 0.304117 |
D | -0.662733 | 0.064110 | -0.023154 |
E | -0.037896 | 0.472751 | -4.907711 |
F | -2.385468 | -0.274244 | -9.205344 |
G | 41.278196 | 37.353760 | 38.738373 |
H | 0.0 | 0.0 | 0.0 |
Reference | Chase, 1998 | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1977; New parameter fit October 2001 | Data last reviewed in March, 1977; New parameter fit October 2001 | Data last reviewed in March, 1977; New parameter fit October 2001 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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° | 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 |
ΔrH° | 3.1 ± 0.2 | kcal/mol | EqS | Bor, 1986 | solvent: n-Hexane; Temperature range: ca. 300-420 K; MS |
ΔrH° | 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 |
ΔrH° | 6.60 | kcal/mol | EqS | Alemdaroglu, Penninger, et al., 1976 | solvent: n-Heptane; Temperature range: 353-428 K; MS |
ΔrH° | 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 |
By formula: H3+ + H2 = (H3+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 17.4 to 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 |
---|---|---|---|---|---|
ΔrH° | -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 |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -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 |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -30.0 ± 0.6 | kcal/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° | 3.3 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrH° | 3.1 | kcal/mol | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; M |
ΔrH° | 3.4 | kcal/mol | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; deuterated; M |
ΔrH° | 4.1 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrH° | 1.8 | kcal/mol | HPMS | Bennett and Field, 1972 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrS° | 16.9 | cal/mol*K | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; M |
ΔrS° | 16.1 | cal/mol*K | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; deuterated; M |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
ΔrS° | 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 |
---|---|---|---|---|---|
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -30. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrH° | 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 |
ΔrH° | 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 |
ΔrG° | 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 |
ΔrG° | 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 |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.94 ± 0.13 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -26.8 ± 0.2 | kcal/mol | Chyd | Roth and Lennartz, 1980 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -26.04 ± 0.44 | kcal/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -26.2 ± 0.2 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -24.3 | kcal/mol | Chyd | Doering, Roth, et al., 1989 | liquid phase; ALS |
ΔrH° | -24.5 ± 0.2 | kcal/mol | Chyd | Roth and Lennartz, 1980 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -23.04 ± 0.17 | kcal/mol | Chyd | Rogers, Von Voithenberg, et al., 1978 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -23.0 ± 0.1 | kcal/mol | Chyd | Turner and Meador, 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -24.09 ± 0.15 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase; ALS |
ΔrH° | -24.22 ± 0.12 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -23.01 ± 0.04 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -23.01 ± 0.04 | kcal/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -23.01 ± 0.04 | kcal/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° | -60.3 ± 0.4 | kcal/mol | Chyd | Fang and Rogers, 1992 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -60.69 ± 0.65 | kcal/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Dioxane; ALS |
ΔrH° | -60.17 ± 0.37 | kcal/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -24.36 ± 0.15 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -23.5 ± 0.2 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -23.56 ± 0.11 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -25.6 ± 0.1 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -24.2 ± 0.2 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -24.88 ± 0.12 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -27.70 ± 0.23 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -26.88 ± 0.02 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -26.85 ± 0.05 | kcal/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -26.82 ± 0.08 | kcal/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° | 2.5 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka and Kebarle, 1976 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.9 | 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° | 20. ± 1. | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(O K)=18.2 kcal/mol, ΔrS(300 K)=20.6 cal/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas 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.) | CID | Haynes and Armentrout, 1996 | gas phase; guided ion beam CID; M |
By formula: C5H10 + H2 = C5H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.27 ± 0.58 | kcal/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Dioxane; ALS |
ΔrH° | -29.87 ± 0.42 | kcal/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -29.30 ± 0.57 | kcal/mol | Chyd | Rogers and Skanupong, 1974 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -28.56 ± 0.16 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase; ALS |
ΔrH° | -27.75 ± 0.13 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -27.75 ± 0.13 | kcal/mol | Eqk | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -26.4 ± 0.1 | kcal/mol | Chyd | Roth and Lennartz, 1980 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -25.85 ± 0.09 | kcal/mol | Chyd | Turner, Meador, et al., 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
By formula: 3H2 + C7H8 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -72.8 ± 0.1 | kcal/mol | Chyd | Roth, Klaerner, et al., 1983 | liquid phase; solvent: Isooctane; ALS |
ΔrH° | -70.49 ± 0.39 | kcal/mol | Chyd | Turner, Meador, et al., 1957 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
By formula: 2H2 + C6H10 = C6H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -55.31 ± 0.72 | kcal/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Dioxane; ALS |
ΔrH° | -54.26 ± 0.67 | kcal/mol | Chyd | Molnar, Rachford, et al., 1984 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -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 |
By formula: C5H5N + 3H2 = C5H11N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -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 |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -25.5 | kcal/mol | Chyd | Turner, Nettleton, et al., 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
ΔrH° | -28.58 ± 0.80 | kcal/mol | Chyd | Crawford and Parks, 1936 | liquid phase; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -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 |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrS° | 22.9 | cal/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° (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, ΔrS(440 K); Kemper, Bushnell, et al., 1993; M |
By formula: H2 + C3H6O = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.43 ± 0.10 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -13.20 | kcal/mol | Eqk | Buckley and Herington, 1965 | gas phase; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrS° | 21.8 | cal/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° (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, ΔrS(440 K); Kemper, Bushnell, et al., 1993; M |
By formula: C8H14 + H2 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.2 ± 0.3 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -26.32 ± 0.04 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -34.5 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase; see Doering, Roth, et al., 1989; ALS |
ΔrH° | -34.41 ± 0.43 | kcal/mol | Chyd | Rogers, Von Voithenberg, et al., 1978 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -32.24 ± 0.21 | kcal/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° | 18.0 ± 0.6 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=17.0 kcal/mol, ΔrS(300 K)=24.5 cal/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.5 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=17.0 kcal/mol, ΔrS(300 K)=24.5 cal/mol*K; M |
By formula: (Co+ • 2H2) + H2 = (Co+ • 3H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 ± 0.4 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=20.5 cal/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=20.5 cal/mol*K; M |
By formula: (Co+ • 3H2) + H2 = (Co+ • 4H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 0.6 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=25.2 cal/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=25.2 cal/mol*K; M |
By formula: (Co+ • 4H2) + H2 = (Co+ • 5H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.2 ± 0.6 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=4.3 kcal/mol, ΔrS(300 K)=21.9 cal/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=4.3 kcal/mol, ΔrS(300 K)=21.9 cal/mol*K; M |
By formula: (Co+ • 5H2) + H2 = (Co+ • 6H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.7 ± 0.6 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=4.0 kcal/mol, ΔrS(300 K)=23.8 cal/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.7 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=4.0 kcal/mol, ΔrS(300 K)=23.8 cal/mol*K; M |
By formula: (Co+ • 6H2) + H2 = (Co+ • 7H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.5 ± 0.7 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=0.8 kcal/mol; ΔrS(300 K)=18.0 cal/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=0.8 kcal/mol; ΔrS(300 K)=18.0 cal/mol*K; M |
By formula: (H3+ • 3H2) + H2 = (H3+ • 4H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.7 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrH° | 2.4 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
By formula: (H3+ • 2H2) + H2 = (H3+ • 3H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.2 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrH° | 3.8 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase; M |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase; M |
By formula: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.25 ± 0.1 | kcal/mol | Chyd | Rogers, Dejroongruang, et al., 1992 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -28.62 ± 0.52 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane; ALS |
ΔrH° | -27.39 ± 0.14 | kcal/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° | -64.22 ± 0.26 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -62.80 ± 0.16 | kcal/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -13.32 | kcal/mol | Chyd | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -12.70 | kcal/mol | Chyd | Wiberg, Crocker, et al., 1991 | solid phase; ALS |
ΔrH° | -9.31 | kcal/mol | Chyd | Wiberg, Crocker, et al., 1991 | gas phase; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -26.63 ± 0.088 | kcal/mol | Chyd | Rogers, Crooks, et al., 1987 | liquid phase; ALS |
ΔrH° | -25.41 ± 0.11 | kcal/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -25.41 ± 0.11 | kcal/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid; ALS |
By formula: 2H2 + C7H10 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -49.92 ± 0.08 | kcal/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -32.8 ± 0.1 | kcal/mol | Chyd | Doering, Roth, et al., 1988 | gas phase; ALS |
ΔrH° | -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 |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | -20.14 ± 0.09 | kcal/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; solvent: Triglyme; Heat of hydrogenation; ALS |
ΔrH° | -16.62 ± 0.18 | kcal/mol | Eqk | Connett, 1972 | gas phase; At 473-524 K; ALS |
ΔrH° | -15.72 ± 0.16 | kcal/mol | Chyd | Buckley and Cox, 1967 | gas phase; ALS |
By formula: 2H2 + C6H8 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -53.64 ± 0.29 | kcal/mol | Chyd | Turner, Mallon, et al., 1973 | liquid phase; solvent: Glacial acetic acid; ALS |
ΔrH° | -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 |
---|---|---|---|---|---|
ΔrH° | 8.70 ± 0.31 | kcal/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, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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) | 100.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 94.34 | kcal/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° | 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 |
ΔrH° | 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 |
ΔrH° | 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 |
ΔrG° | 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 |
ΔrG° | 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 |
Ion clustering 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Ar+ + H2 = (Ar+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.4 | kcal/mol | FA | Shul, Passarella, et al., 1987 | gas phase; switching reaction(Ar+)Ar, ΔrH>; Dehmer and Pratt, 1982 |
By formula: CHO+ + H2 = (CHO+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.9 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975, 2 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975, 2 | gas phase |
By formula: CH5+ + H2 = (CH5+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.88 ± 0.10 | kcal/mol | PHPMS | Hiraoka, Kudaka, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12.1 | cal/mol*K | PHPMS | Hiraoka, Kudaka, et al., 1991 | gas phase |
By formula: (CH5+ • H2) + H2 = (CH5+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.78 ± 0.10 | kcal/mol | PHPMS | Hiraoka, Kudaka, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.2 | cal/mol*K | PHPMS | Hiraoka, Kudaka, et al., 1991 | gas phase |
By formula: (CH5+ • 2H2) + H2 = (CH5+ • 3H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.61 ± 0.10 | kcal/mol | PHPMS | Hiraoka, Kudaka, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Hiraoka, Kudaka, et al., 1991 | gas phase |
By formula: (CH5+ • 3H2) + H2 = (CH5+ • 4H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.57 ± 0.10 | kcal/mol | PHPMS | Hiraoka, Kudaka, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Hiraoka, Kudaka, et al., 1991 | gas phase |
By formula: C3H7+ + H2 = (C3H7+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.5 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka and Kebarle, 1976 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.9 | 170. | PHPMS | Hiraoka and Kebarle, 1976 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
By formula: (Co+ • CH4) + H2 = (Co+ • H2 • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 22.9 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993, 2 | gas phase; switching reaction(Co+).2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993 |
Enthalpy of reaction
ΔrH° (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, ΔrS(440 K); Kemper, Bushnell, et al., 1993 |
By formula: (Co+ • H2O) + H2 = (Co+ • H2 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 24.7 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993, 2 | gas phase; ΔrS(530 K) |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.8 (+0.6,-0.) | SIDT | Kemper, Bushnell, et al., 1993, 2 | gas phase; ΔrS(530 K) |
By formula: Co+ + H2 = (Co+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 1. | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(O K)=18.2 kcal/mol, ΔrS(300 K)=20.6 cal/mol*K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(O K)=18.2 kcal/mol, ΔrS(300 K)=20.6 cal/mol*K |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.5 (+2.3,-0.) | CID | Haynes and Armentrout, 1996 | gas phase; guided ion beam CID |
By formula: (Co+ • H2) + H2 = (Co+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.0 ± 0.6 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=17.0 kcal/mol, ΔrS(300 K)=24.5 cal/mol*K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.5 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=17.0 kcal/mol, ΔrS(300 K)=24.5 cal/mol*K |
By formula: (Co+ • 2H2) + H2 = (Co+ • 3H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 ± 0.4 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=20.5 cal/mol*K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=20.5 cal/mol*K |
By formula: (Co+ • 3H2) + H2 = (Co+ • 4H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 0.6 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=25.2 cal/mol*K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=9.6 kcal/mol, ΔrS(300 K)=25.2 cal/mol*K |
By formula: (Co+ • 4H2) + H2 = (Co+ • 5H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.2 ± 0.6 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=4.3 kcal/mol, ΔrS(300 K)=21.9 cal/mol*K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=4.3 kcal/mol, ΔrS(300 K)=21.9 cal/mol*K |
By formula: (Co+ • 5H2) + H2 = (Co+ • 6H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.7 ± 0.6 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=4.0 kcal/mol, ΔrS(300 K)=23.8 cal/mol*K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.7 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=4.0 kcal/mol, ΔrS(300 K)=23.8 cal/mol*K |
By formula: (Co+ • 6H2) + H2 = (Co+ • 7H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.5 ± 0.7 | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=0.8 kcal/mol; ΔrS(300 K)=18.0 cal/mol*K |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH(0 K)=0.8 kcal/mol; ΔrS(300 K)=18.0 cal/mol*K |
By formula: Fe+ + H2 = (Fe+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 ± 0.2 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 10.8 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 10.8 kcal/mol |
By formula: (Fe+ • H2) + H2 = (Fe+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 ± 0.2 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 15.7 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 15.7 kcal/mol |
By formula: (Fe+ • 2H2) + H2 = (Fe+ • 3H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 ± 0.1 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 7.5 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 7.5 kcal/mol |
By formula: (Fe+ • 3H2) + H2 = (Fe+ • 4H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 ± 0.1 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 8.6 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 8.6 kcal/mol |
By formula: (Fe+ • 4H2) + H2 = (Fe+ • 5H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.6 ± 0.1 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 2.2 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 2.2 kcal/mol |
By formula: (Fe+ • 5H2) + H2 = (Fe+ • 6H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.7 ± 0.1 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 2.3 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.1 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1995 | gas phase; ΔrH(0K) = 2.3 kcal/mol |
By formula: HN2+ + H2 = (HN2+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase |
By formula: (HN2+ • H2) + H2 = (HN2+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase |
By formula: HO- + H2 = (HO- • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7. | kcal/mol | CID | Paulson and Henchman, 1984 | gas phase; approximate value |
By formula: HO2+ + H2 = (HO2+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase |
By formula: (HO2+ • O2) + H2 = (HO2+ • H2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.0 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase |
By formula: H3+ + H2 = (H3+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 17.4 to 17.4 | cal/mol*K | RNG | N/A | Range of 6 values; Individual data points |
By formula: (H3+ • H2) + H2 = (H3+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.3 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase |
ΔrH° | 3.1 | kcal/mol | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase |
ΔrH° | 3.4 | kcal/mol | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; deuterated |
ΔrH° | 4.1 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase |
ΔrH° | 1.8 | kcal/mol | HPMS | Bennett and Field, 1972 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase |
ΔrS° | 16.9 | cal/mol*K | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase |
ΔrS° | 16.1 | cal/mol*K | HPMS | Beuhler, Ehrenson, et al., 1983 | gas phase; deuterated |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase |
ΔrS° | 10.8 | cal/mol*K | HPMS | Bennett and Field, 1972 | gas phase; Entropy change is questionable |
By formula: (H3+ • 2H2) + H2 = (H3+ • 3H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.2 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase |
ΔrH° | 3.8 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase |
By formula: (H3+ • 3H2) + H2 = (H3+ • 4H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.7 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase |
ΔrH° | 2.4 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1975 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1975 | gas phase |
By formula: (H3+ • 4H2) + H2 = (H3+ • 5H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.6 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase |
By formula: (H3+ • 5H2) + H2 = (H3+ • 6H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.5 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase |
By formula: (H3+ • 6H2) + H2 = (H3+ • 7H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.9 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.5 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase |
By formula: (H3+ • 7H2) + H2 = (H3+ • 8H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.8 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase |
By formula: (H3+ • 8H2) + H2 = (H3+ • 9H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.6 ± 0.1 | kcal/mol | PHPMS | Hiraoka, 1987 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka, 1987 | gas phase |
By formula: H3O+ + H2 = (H3O+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.5 ± 0.5 | kcal/mol | SCATTERING | Okumura, Yeh, et al., 1990 | gas phase |
By formula: K+ + H2 = (K+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.86 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1994 | gas phase; ΔrH(0K) = 1.45 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.5 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1994 | gas phase; ΔrH(0K) = 1.45 kcal/mol |
By formula: (K+ • H2) + H2 = (K+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.47 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1994 | gas phase; ΔrH(0K) = 1.35 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 11.2 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1994 | gas phase; ΔrH(0K) = 1.35 kcal/mol |
By formula: Li+ + H2 = (Li+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.5 ± 4.6 | kcal/mol | EI | Wu, 1979 | gas phase |
By formula: Na+ + H2 = (Na+ • H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.93 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1994 | gas phase; ΔrH(0K) = 2.45 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.2 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1994 | gas phase; ΔrH(0K) = 2.45 kcal/mol |
By formula: (Na+ • H2) + H2 = (Na+ • 2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.41 | kcal/mol | SIDT | Bushnell, Kemper, et al., 1994 | gas phase; ΔrH(0K) = 2.25 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12.4 | cal/mol*K | SIDT | Bushnell, Kemper, et al., 1994 | gas phase; ΔrH(0K) = 2.25 kcal/mol |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Rathke, Klingler, et al., 1992
Rathke, J.W.; Klingler, R.J.; Krause, T.R.,
Organometallics, 1992, 11, 585. [all data]
Bor, 1986
Bor, G.,
Pure & Appl. Chem., 1986, 58, 543. [all data]
Alemdaroglu, Penninger, et al., 1976
Alemdaroglu, N.H.; Penninger, J.M.L.; Oltay, E.,
Monatsh. Chem., 1976, 107, 1043. [all data]
Ungváry, 1972
Ungváry, F.,
J. Organometal. Chem., 1972, 36, 363. [all data]
Poë, Sampson, et al., 1993
Poë, A.J.; Sampson, C.N.; Smith, R.T.; Zheng, Y.,
J. Am. Chem. Soc., 1993, 115, 3174. [all data]
Landrum and Hoff, 1985
Landrum, J.T.; Hoff, C.D.,
J. Organometal. Chem., 1985, 282, 215. [all data]
Pedley, 1994
Pedley, J.B.,
Thermodynamic Data and Structures of Organic Compounds; Thermodynamics Research Center Data Series, Vol I, Thermodynamics Research Center, College Station, 1994. [all data]
Hiraoka, 1987
Hiraoka, K.,
A Determination of the Stabilities of H3+(H2)n with n=1-9 from Measurements of the gas-Phase Ion Equilibria H3+(H2)n-1 + H2 = H3+(H2)n,
J. Chem. Phys., 1987, 87, 7, 4048, https://doi.org/10.1063/1.452909
. [all data]
Beuhler, Ehrenson, et al., 1983
Beuhler, R.J.; Ehrenson, S.; Friedman, L.,
Hydrogen Cluster Ion Equilibria,
J. Chem. Phys., 1983, 79, 12, 5982, https://doi.org/10.1063/1.445781
. [all data]
Hiraoka and Kebarle, 1975
Hiraoka, K.; Kebarle, P.,
A Determination of the Stabilities of H5+, H7+, H9+, and H11+ from Measurement of the Gas Phase Ion Equilibria Hn+ + H2 = H(n + 2)+ (n = 3, 5, 7, 9),
J. Chem. Phys., 1975, 62, 6, 2267, https://doi.org/10.1063/1.430751
. [all data]
Bennett and Field, 1972
Bennett, S.L.; Field, F.H.,
Reversible Reactions of Gaseous Ions. VII. The Hydrogen System,
J. Am. Chem. Soc., 1972, 94, 25, 8669, https://doi.org/10.1021/ja00780a003
. [all data]
Shiell, Hu, et al., 2000
Shiell, R.C.; Hu, X.K.; Hu, Q.C.J.; Hepburn, J.W.,
Threshold Ion-pair Production spectroscopy (TIPPS) of H2 and D2,
Faraday Disc. Chem. Soc., 2000, 115, 331, https://doi.org/10.1039/a909428h
. [all data]
Pratt, McCormack, et al., 1992
Pratt, S.T.; McCormack, E.F.; Dehmer, J.L.; Dehmer, P.M.,
Field-Induced Ion-Pair Formation in Molecular Hydrogen,
Phys. Rev. Lett., 1992, 68, 5, 584, https://doi.org/10.1103/PhysRevLett.68.584
. [all data]
Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.,
Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]
Lykke, Murray, et al., 1991
Lykke, K.R.; Murray, K.K.; Lineberger, W.C.,
Threshold Photodetachment of H-,
Phys. Rev. A, 1991, 43, 11, 6104, https://doi.org/10.1103/PhysRevA.43.6104
. [all data]
Allinger, Dodziuk, et al., 1982
Allinger, N.L.; Dodziuk, H.; Rogers, D.W.; Naik, S.N.,
Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements,
Tetrahedron, 1982, 38, 1593-1597. [all data]
Roth and Lennartz, 1980
Roth, W.R.; Lennartz, H.W.,
Heats of hydrogenation. I. Determination of heats of hydrogenation with an isothermal titration calorimeter,
Chem. Ber., 1980, 113, 1806-1817. [all data]
Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J.,
Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins,
J. Am. Chem. Soc., 1973, 95, 790-792. [all data]
Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J.,
A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring,
Tetrahedron, 1971, 27, 3765-3775. [all data]
Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E.,
Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons,
J. Am. Chem. Soc., 1937, 59, 831-841. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Doering, Roth, et al., 1989
Doering, W.E.; Roth, W.R.; Bauer, F.; Breuckmann, R.; Ebbrecht, T.; Herbold, M.; Schmidt, R.; Lennartz, H-W.; Lenoir, D.; Boese, R.,
Rotational barriers of strained olefines,
Chem. Ber., 1989, 122, 1263-1266. [all data]
Rogers, Von Voithenberg, et al., 1978
Rogers, D.W.; Von Voithenberg, H.; Allinger, N.L.,
Heats of hydrogenation of the cis and trans isomers of cyclooctene,
J. Org. Chem., 1978, 43, 360-361. [all data]
Turner and Meador, 1957
Turner, R.B.; Meador, W.R.,
Heats of hydrogenation. IV. Hydrogenation of some cis- and trans-cycloolefins,
J. Am. Chem. Soc., 1957, 79, 4133-4136. [all data]
Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes,
J. Am. Chem. Soc., 1939, 61, 1868-1876. [all data]
Wang, Rosini, et al., 1995
Wang, K.; Rosini, G.P.; Nolan, S.P.; Goldman, A.S.,
J. Am. Chem. Soc., 1995, 117, 5082. [all data]
Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K.,
Enthalpies of hydrogenation of the hexenes,
J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]
Turner and Garner, 1958
Turner, R.B.; Garner, R.H.,
Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs,
J. Am. Chem. Soc., 1958, 80, 1424-1430. [all data]
Turner and Garner, 1957
Turner, R.B.; Garner, R.H.,
Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs,
J. Am. Chem. Soc., 1957, 80, 1424-1430. [all data]
Turner and Garner, 1957, 2
Turner, R.B.; Garner, R.H.,
The stability relationship of 1-methyl-cyclopentene and methylenecyclopentane,
J. Am. Chem. Soc., 1957, 79, 253. [all data]
Fang and Rogers, 1992
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]
Molnar, Rachford, et al., 1984
Molnar, A.; Rachford, R.; Smith, G.V.; Liu, R.,
Heats of hydrogenation by a simple and rapid flow calorimetric method,
Appl. Catal., 1984, 9, 219-223. [all data]
Turner, Mallon, et al., 1973
Turner, R.B.; Mallon, B.J.; Tichy, M.; Doering, W.v.E.; Roth, W.R.; Schroder, G.,
Heats of hydrogenation. X. Conjugative interaction in cyclic dienes and trienes,
J. Am. Chem. Soc., 1973, 95, 8605-8610. [all data]
Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene,
J. Am. Chem. Soc., 1936, 58, 146-153. [all data]
Hiraoka and Kebarle, 1976
Hiraoka, K.; Kebarle, P.,
Stabilities and Energetics of Pentacoordinated Carbonium Ions. The Isomeric C2H7+ Ions and Some Higher Analogues: C3H9+ and C4H11+,
J. Am. Chem. Soc., 1976, 98, 20, 6119, https://doi.org/10.1021/ja00436a009
. [all data]
Kemper, Bushnell, et al., 1993
Kemper, P.R.; Bushnell, J.; Von Helden, G.; Bowers, M.T.,
Co+(H2)n Clusters: Binding Energies and Molecular Parameters,
J. Chem Phys., 1993, 97, 1, 52, https://doi.org/10.1021/j100103a012
. [all data]
Haynes and Armentrout, 1996
Haynes, C.L.; Armentrout, P.B.,
Guided Ion Beam Determination of the Co+ - H2 Bond Dissociation energy,
Chem Phys. Let., 1996, 249, 1-2, 64, https://doi.org/10.1016/0009-2614(95)01337-7
. [all data]
Rogers and Skanupong, 1974
Rogers, D.W.; Skanupong, S.,
Heats of hydrogenation of sixteen terminal monoolefins. The alternating effect,
J. Phys. Chem., 1974, 78, 2569-2572. [all data]
Turner, Meador, et al., 1957
Turner, R.B.; Meador, W.R.; Winkler, R.E.,
Heats of hydrogenation. I. Apparatus and the heats of hydrogenation of bicyclo[2,2,1]heptene, bicyclo[2,2,1]heptadiene, bicyclo[2,2,2]octene and bicyclo[2,2,2]octadiene,
J. Am. Chem. Soc., 1957, 79, 4116-4121. [all data]
Roth, Klaerner, et al., 1983
Roth, W.R.; Klaerner, F.G.; Gerit, F.; Grimme, W.; Koeser, H.G.; Busch, R.; Muskulus, B.; Breuckmann, R.; Scholz, B.P.; Lennartz, H.W.,
Stereochemistry of the bicyclo[2.1.0]pentane ring opening: thermolysis of tricyclo[3.2.0.0(,)]heptane derivatives,
Chem. Ber., 1983, 116, 2717-2737. [all data]
Hales and Herington, 1957
Hales, J.L.; Herington, E.F.G.,
Equilibrium between pyridine and piperidine,
Trans. Faraday Soc., 1957, 53, 616-622. [all data]
Burrows and King, 1935
Burrows, G.H.; King, L.A., Jr.,
The free energy change that accompanies hydrogenation of pyridine to piperidine,
J. Am. Chem. Soc., 1935, 57, 1789-1791. [all data]
Turner, Nettleton, et al., 1958
Turner, R.B.; Nettleton, J.E.; Perelman,
Heats of Hydrogenation. VI. Heats of hydrogenation of some substituted ethylenes,
J. Am. Chem. Soc., 1958, 80, 1430-1433. [all data]
Crawford and Parks, 1936
Crawford, B.L., Jr.; Parks, G.S.,
The heat of hydrogenation of diisobutylene,
J. Am. Chem. Soc., 1936, 58, 373. [all data]
Kistiakowsky and Nickle, 1951
Kistiakowsky, G.B.; Nickle, A.G.,
Ethane-ethylene and propane-propylene equilibria,
Faraday Discuss. Chem. Soc., 1951, 10, 175-187. [all data]
Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons,
J. Am. Chem. Soc., 1935, 57, 876-882. [all data]
Kemper, Bushnell, et al., 1993, 2
Kemper, P.R.; Bushnell, J.; Von Koppen, P.; Bowers, M.T.,
Binding Energies of Co+(H2/CH4/C2H6)1,2,3 Clusters,
J. Phys. Chem., 1993, 97, 9, 1810, https://doi.org/10.1021/j100111a016
. [all data]
Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M.,
Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups,
J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]
Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G.,
Equilibria in some secondary alcohol + hydrogen + ketone systems,
Trans. Faraday Soc., 1965, 61, 1618-1625. [all data]
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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Shiner, Gilligan, et al., 1993
Shiner, D.; Gilligan, J.M.; Cook, B.M.; Lichten, W.,
H2, D2, and HD ionization potentials by accurate calibration of several iodine lines,
Phys. Rev. A, 1993, 47, 4042. [all data]
McCormack, Gilligan, et al., 1989
McCormack, E.; Gilligan, J.M.; Cornaggia, C.; Eyler, E.E.,
Measurement of high Rydberg states and the ionization potential of H2,
Phys. Rev. A, 1989, 39, 2260. [all data]
Glab and Hessler, 1987
Glab, W.L.; Hessler, J.P.,
Multiphoton excitation of high singlet np Rydberg states of molecular hydrogen: Spectroscopy and dynamics,
Phys. Rev. A, 1987, 35, 2102. [all data]
Eyler, Short, et al., 1986
Eyler, E.E.; Short, R.C.; Pipkin, F.M.,
Precision spectroscopy of the nf triplet Rydberg states of H2 and determination of the triplet ionization potential,
Phys. Rev. Lett., 1986, 56, 2602. [all data]
Farber, Srivastava, et al., 1982
Farber, M.; Srivastava, R.D.; Moyer, J.W.,
Mass spectrometric determination of the thermodynamics of potassium hydroxide and minor potassium-containing species required in magnetohydrodynamic power systems,
J. Chem. Thermodyn., 1982, 14, 1103. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Bieri, Schmelzer, et al., 1980
Bieri, G.; Schmelzer, A.; Asbrink, L.; Jonsson, M.,
Fluorine and the fluoroderivatives of acetylene and diacetylene studied by 30.4 nm He(II) photoelectron spectroscopy,
Chem. Phys., 1980, 49, 213. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]
Farber and Srivastava, 1977
Farber, M.; Srivastava, R.D.,
Mass spectrometric determination of the heats of formation of the silane fluorides,
Chem. Phys. Lett., 1977, 51, 307. [all data]
Rabalais, Debies, et al., 1974
Rabalais, J.W.; Debies, T.P.; Berkosky, J.L.; Huang, J.-T.J.; Ellison, F.O.,
Calculated photoionization cross sections relative experimental photoionization intensities for a selection of small molecules,
J. Chem. Phys., 1974, 61, 516. [all data]
Lee and Rabalais, 1974
Lee, T.H.; Rabalais, J.W.,
Vibrational transition probabilities in photoelectron spectra,
J. Chem. Phys., 1974, 61, 2747. [all data]
Herzberg and Jungen, 1972
Herzberg, G.; Jungen, Ch.,
Rydberg series and ionization potential of the H2 molecule,
J. Mol. Spectrosc., 1972, 41, 425. [all data]
Takezawa, 1970
Takezawa, S.,
Absorption spectrum of H2 in the vacuum-uv region. II. Rydberg series converging to the first six vibrational levels of the H2+ ground state,
J. Chem. Phys., 1970, 52, 5793. [all data]
Asbrink, 1970
Asbrink, L.,
The photoelectron spectrum of H2,
Chem. Phys. Lett., 1970, 7, 549. [all data]
Lossing and Semeluk, 1969
Lossing, F.P.; Semeluk, G.P.,
Threshold ionization efficiency curves for monoenergetic electron impact on H2, D2, CH4 and CD4,
Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 408. [all data]
Herzberg, 1969
Herzberg, G.,
Dissociation energy and ionization potential of molecular hydrogen,
Phys. Rev. Letters, 1969, 23, 1081. [all data]
Villarejo, 1968
Villarejo, D.,
Measurement of threshold electrons in the photoionization of H2 and D2,
J. Chem. Phys., 1968, 48, 4014. [all data]
Collin and Natalis, 1968
Collin, J.E.; Natalis, P.,
Vibrational and electronic ionic states of nitric oxide. An accurate method for measuring ionization potentials by photoelectron spectroscopy,
Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 483. [all data]
Cermak, 1968
Cermak, V.,
Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules,
Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]
Kerwin, Marmet, et al., 1963
Kerwin, L.; Marmet, P.; Clarke, E.M.,
Recent work with the electrostatic electron selector,
Advan. Mass Spectrom., 1963, 2, 522. [all data]
Beutler and Junger, 1936
Beutler, H.; Junger, H.-O.,
Uber das Absorptionsspektrum des Wasserstoffs. III. Die Autoionisierung im Term 3pπ 1u des H2 und ihre Auswahlgesetze. Bestimmung der lonisierungsenergie des H2,
Z. Physik, 1936, 100, 80. [all data]
Weitzel, Mahnert, et al., 1994
Weitzel, K.-M.; Mahnert, J.; Penno, M.,
ZEKE-PEPICO investigations of dissociation energies in ionic reactions,
Chem. Phys. Lett., 1994, 224, 371. [all data]
Crowe and McConkey, 1973
Crowe, A.; McConkey, J.W.,
Dissociative ionization by electron impact. I. Protons from H2,
J. Phys. B:, 1973, 6, 2088. [all data]
Locht and Momigny, 1971
Locht, R.; Momigny, J.,
Mass spectrometric study of ion-pair processes in diatomic molecules: H2, CO, NO and O2,
Int. J. Mass Spectrom. Ion Phys., 1971, 7, 121. [all data]
Curran, Laboratories
Curran, R.K.,
Negative ion formation in various gases at pressures up to .5 mm of Hg,
Scientific Paper 62-908-113-P7, Westinghouse Research, Laboratories, Pittsburgh, 1962. [all data]
Shul, Passarella, et al., 1987
Shul, R.J.; Passarella, R.; Upshulte, B.L.; Keesee, R.G.; Castleman, A.W.,
Thermal Energy Reactions Invoving Ar+ Monomer and Dimer with N2, H2, Xe, and Kr,
J. Chem. Phys., 1987, 86, 8, 4446, https://doi.org/10.1063/1.452718
. [all data]
Dehmer and Pratt, 1982
Dehmer, P.M.; Pratt, S.T.,
Photoionization of ArKr, ArXe, and KrXe and bond dissociation energies of the rare gas dimer ions,
J. Chem. Phys., 1982, 77, 4804. [all data]
Hiraoka and Kebarle, 1975, 2
Hiraoka, K.; Kebarle, P.,
Stability and Structure of H3CO+ Formed from COH+ + H2 at Low Temperature,
J. Chem. Phys., 1975, 63, 4, 1688, https://doi.org/10.1063/1.431499
. [all data]
Hiraoka, Kudaka, et al., 1991
Hiraoka, K.; Kudaka, I.; Yamabe, S.,
Gas-Phase Solvation of CH5+ with H2,
Chem. Phys. Lett., 1991, 184, 4, 271, https://doi.org/10.1016/0009-2614(91)85122-D
. [all data]
Bushnell, Kemper, et al., 1995
Bushnell, J.E.; Kemper, P.R.; Bowers, M.T.,
Factors Affecting sigma Bond Activation in Simple Systems; Measurement of Experimental Binding energies of Fe+(H2)1-6 Clusters,
J. Phys. Chem., 1995, 99, 42, 15602, https://doi.org/10.1021/j100042a040
. [all data]
Hiraoka, Saluja, et al., 1979
Hiraoka, K.; Saluja, P.P.S.; Kebarle, P.,
Stabilities of Complexes (N2)nH+, (CO)nH+ and (O2)nH+ for n = 1 to 7 Based on Gas Phase Ion Equilibrium Measurements,
Can. J. Chem., 1979, 57, 16, 2159, https://doi.org/10.1139/v79-346
. [all data]
Paulson and Henchman, 1984
Paulson, J.F.; Henchman, M.J.,
NATO Advanced Study Institute, Ionic Processes in the Gas Phase, Series C, M. A. Almoster - Ferreira, ed(s)., Reidel, Boston, 1984, 331. [all data]
Okumura, Yeh, et al., 1990
Okumura, M.; Yeh, L.I.; Myers, J.D.; Lee, Y.T.,
Infrared Spectra of the Solvated Hydronium Ion: Vibrational Predissociation Spectroscopy of Mass-Selected H3O+.(H2O)n.(H2)m,
J. Phys. Chem., 1990, 94, 9, 3416, https://doi.org/10.1021/j100372a014
. [all data]
Bushnell, Kemper, et al., 1994
Bushnell, J.E.; Kemper, P.R.; Bowers, M.T.,
Na+/K+(H2)1,2 clusters: experiment,
J. Phys. Chem., 1994, 98, 8, 2044, https://doi.org/10.1021/j100059a011
. [all data]
Wu, 1979
Wu, C.H.,
Binding Energies of LiH2 and LiH2+ and the Ionization Potential of LiH2,
J. Chem. Phys., 1979, 71, 2, 783, https://doi.org/10.1063/1.438367
. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) 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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