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:
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 501 to 550, reactions 551 to 600, reactions 601 to 621
- Henry's Law data
- Gas phase ion energetics data
- Mass spectrum (electron ionization)
- Constants of diatomic molecules
- Fluid Properties
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Gas phase thermochemistry data
Go To: Top, Phase change 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.
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 |
Phase change 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 compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 0. | K | N/A | Roder, Childs, et al., 1973 | TRC |
Ttriple | 13.95 | K | N/A | Clusius and Weigand, 1940 | Uncertainty assigned by TRC = 0.06 K; see property X for dP/dT for c-l equil.; TRC |
Ttriple | 13.96 | K | N/A | Henning and Otto, 1936 | Uncertainty assigned by TRC = 0.05 K; temperature measured with He gas thermometer; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0. | atm | N/A | Roder, Childs, et al., 1973 | TRC |
Ptriple | 0.0712 | atm | N/A | Henning and Otto, 1936 | Uncertainty assigned by TRC = 0.0004 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 33.18 | K | N/A | Onnes, Crommelin, et al., 1917 | Uncertainty assigned by TRC = 0.2 K; derived from P-V-T measurements; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 12.83 | atm | N/A | Onnes, Crommelin, et al., 1917 | Uncertainty assigned by TRC = 0.0117 atm; derived from vapor pressure extrapolated to Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 15.4 | mol/l | N/A | Onnes, Crommelin, et al., 1917 | Uncertainty assigned by TRC = 2. mol/l; by extrapolation of rectilinear diameter to Tc; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
21.01 to 32.27 | 3.53743 | 99.395 | 7.726 | van Itterbeek, Verbeke, et al., 1964 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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 |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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, Phase change data, Reaction thermochemistry 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.
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Notes
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- Symbols used in this document:
Pc Critical pressure Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tc Critical temperature Ttriple Triple point temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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