Carbon monoxide
- Formula: CO
- Molecular weight: 28.0101
- IUPAC Standard InChIKey: UGFAIRIUMAVXCW-UHFFFAOYSA-N
- CAS Registry Number: 630-08-0
- 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. - Other names: Carbon oxide (CO); CO; Exhaust gas; Flue gas; Carbonic oxide; Carbon oxide; Carbone (oxyde de); Carbonio (ossido di); Kohlenmonoxid; Kohlenoxyd; Koolmonoxyde; NA 9202; Oxyde de carbone; UN 1016; Wegla tlenek; Carbon monooxide
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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 |
---|---|---|---|---|---|
ΔfH°gas | -110.53 ± 0.17 | kJ/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -110.53 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 197.660 ± 0.004 | J/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 197.66 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1300. | 1300. to 6000. |
---|---|---|
A | 25.56759 | 35.15070 |
B | 6.096130 | 1.300095 |
C | 4.054656 | -0.205921 |
D | -2.671301 | 0.013550 |
E | 0.131021 | -3.282780 |
F | -118.0089 | -127.8375 |
G | 227.3665 | 231.7120 |
H | -110.5271 | -110.5271 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1965 | Data last reviewed in September, 1965 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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
RCD - Robert C. Dunbar
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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) = C14H21MnO2 (solution) + (solution)
By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 196. ± 7. | kJ/mol | AVG | N/A | Average of 18 values; Individual data points |
(solution) + (solution) = C12H16CrO5 (solution) + (solution)
By formula: C6CrO6 (solution) + C7H16 (solution) = C12H16CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 113. ± 3. | kJ/mol | AVG | N/A | Average of 13 values; Individual data points |
(solution) = C5CrO5 (solution) + (solution)
By formula: C6CrO6 (solution) = C5CrO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 168.2 ± 2.5 | kJ/mol | KinS | Graham and Angelici, 1967 | solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(solution) with PBu3(solution).; MS |
ΔrH° | 159.4 | kJ/mol | KinS | Werner and Prinz, 1966 | solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of Cr(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS |
(solution) = C5MoO5 (solution) + (solution)
By formula: C6MoO6 (solution) = C5MoO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 132.6 ± 5.9 | kJ/mol | KinS | Graham and Angelici, 1967 | solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Mo(CO)6(solution) with PBu3(solution).; MS |
ΔrH° | 126.4 | kJ/mol | KinS | Werner and Prinz, 1966 | solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of Mo(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS |
(solution) = C5O5W (solution) + (solution)
By formula: C6O6W (solution) = C5O5W (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 166.9 ± 6.7 | kJ/mol | KinS | Graham and Angelici, 1967 | solvent: Decalin; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of W(CO)6(solution) with PBu3(solution).; MS |
ΔrH° | 163.2 | kJ/mol | KinS | Werner and Prinz, 1966 | solvent: n-Decane+cyclohexane mixture; The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reactions of W(CO)6(solution) with a phosphine and an amine. The results were quoted from Graham and Angelici, 1967.; MS |
C11H2O11Os (solution) + (solution) = (g) + (solution)
By formula: C11H2O11Os (solution) + CO (solution) = H2 (g) + C12O12Os3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.7 ± 9.6 | kJ/mol | ES/KS | Poë, Sampson, et al., 1993 | solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS |
ΔrH° | -77.4 ± 9.7 | kJ/mol | N/A | Poë, Sampson, et al., 1993 | solvent: Decalin; Calculated from data for the reactions Os3(CO)10(H)2(solution) + CO(solution) = Os3(CO)11(H)2(solution) (hrxn [kJ/mol]=-39.7±1.3, srxn [J/(mol K)]=-80.3±3.8) and Os3(CO)11(H)2(solution) + CO(solution) = Os3(CO)12(solution) + H2(g) (hrxn [kJ/mol]=-37.7±9.6, srxn [J/(mol K)]=-32.6±27.6) Poë, Sampson, et al., 1993.; MS |
(g) = C4FeO4 (g) + (g)
By formula: C5FeO5 (g) = C4FeO4 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 174. ± 13. | kJ/mol | LPHP | Lewis, Golden, et al., 1984 | Please also see Smith and Laine, 1981. Temperature range: 670-780 K. The reaction enthalpy at 298 K relies on an activation energy of 167.4 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -723.9 ± 6.7 kJ/mol for the enthalpy of formation of Fe(CO)5(g). At least two other estimates of the activation energy for the Fe(CO)4(g) + CO(g) recombination have been reported: 7.1 kJ/mol Miller and Grant, 1985 and 16.7 kJ/mol Walsh, 1986. In Lewis, Golden, et al., 1984 authors have considered that the Fe(CO)4(g) fragment is in its singlet excited state. However, it has also been suggested that the fragment is formed in its triplet ground state Ray, Brandow, et al., 1988 Sunderlin, Wang, et al., 1992; MS |
ΔrH° | 232. ± 48. | kJ/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
(g) = C5MoO5 (g) + (g)
By formula: C6MoO6 (g) = C5MoO5 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 146. ± 21. | kJ/mol | KinG | Ganske and Rosenfeld, 1990 | MS |
ΔrH° | 170. ± 13. | kJ/mol | LPHP | Lewis, Golden, et al., 1984 | The reaction enthalpy at 298 K relies on an activation energy of 163.2 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -915.3 ± 2.1 kJ/mol for the enthalpy of formation of Mo(CO)6(g); MS |
ΔrH° | 126.4 | kJ/mol | KinG | Cetini and Gambino, 1963 | Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Mo(CO)6(g) with CO(g) Cetini and Gambino, 1963. The results were quoted from Graham and Angelici, 1967.; MS |
(g) = C5O5W (g) + (g)
By formula: C6O6W (g) = C5O5W (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 193. ± 13. | kJ/mol | LPHP | Lewis, Golden, et al., 1984 | The reaction enthalpy at 298 K relies on an activation energy of 186.2 kJ/mol and assumes a negligible activation barrier for product recombination. The enthalpy of formation relies on -883.9 ± 2.7 kJ/mol for the enthalpy of formation of W(CO)6(g); MS |
ΔrH° | 166.5 | kJ/mol | KinG | Cetini and Gambino, 1963, 2 | Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of W(CO)6(g) with CO(g) Cetini and Gambino, 1963, 2. The results were quoted from Graham and Angelici, 1967.; MS |
(g) = C5CrO5 (g) + (g)
By formula: C6CrO6 (g) = C5CrO5 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 155. ± 21. | kJ/mol | KinG | Fletcher and Rosenfeld, 1988 | MS |
ΔrH° | 154. ± 13. | kJ/mol | LPHP | Lewis, Golden, et al., 1984 | Temperature range: 740-820 K. The reaction enthalpy at 298 K relies on an activation energy of 147.7 kJ/mol and assumes a negligible activation barrier for product recombination.; MS |
ΔrH° | 161.9 | kJ/mol | KinG | Pajaro, Calderazzo, et al., 1960 | Please also see Graham and Angelici, 1967. The reaction enthalpy and entropy were identified with the enthalpy and entropy of activation for the reaction of Cr(CO)6(g) with CO(g) Pajaro, Calderazzo, et al., 1960. The results were quoted from Graham and Angelici, 1967.; MS |
C10H5CrNO5 (solution) + (solution) = (solution) + (solution)
By formula: C10H5CrNO5 (solution) + CO (solution) = C6CrO6 (solution) + C4H4N2 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -61.9 | kJ/mol | KinS | Wovkulich and Atwood, 1980 | solvent: Hexane; The data rely on the enthalpy and entropy of activation for the forward reaction, 106.3 ± 4.6 kJ/mol and 13.0±14.6 J/(mol K) Dennenberg and Darensbourg, 1972, and also on the enthalpy and entropy of activation for the Cr-CO dissociation in Cr(CO)6, 168.2 ± 2.5 kJ/mol and 94.6±6.3 J/(mol K) Graham and Angelici, 1967. The latter data were obtained in decalin; MS |
By formula: CO+ + CO = (CO+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 67. | kJ/mol | PIPECO | Norwood, Guo, et al., 1988 | gas phase; CO+ in state B, ΔrH>; M |
ΔrH° | 93.7 | kJ/mol | PI | Linn, Ono, et al., 1981 | gas phase; M |
ΔrH° | 120. ± 30. | kJ/mol | EI | Munson and Franlin, 1962 | gas phase; from IP'switching reaction and heats of formation; M |
ΔrH° | 106. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; ΔrH>, DG>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; ΔrH>, DG>; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21. | 340. | HPMS | Chong and Franklin, 1971 | gas phase; equilibrium uncertain; M |
48.1 | 695. | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; ΔrH>, DG>; M |
By formula: C6O6W (cr) = 6CO (g) + W (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 298.8 ± 4.7 | kJ/mol | TD-HFC, HAL-HFC | Al-Takhin, Connor, et al., 1984 | The reaction enthalpy corresponds to the TD experiments and leads to -962.0 ± 4.8 kJ/mol for the enthalpy of formation. The value -960±3 was recommended by the authors Al-Takhin, Connor, et al., 1984. Other values for the enthalpy of sublimation have been reported: 73. ± 1. kJ/mol Adedeji, Brown, et al., 1975, 74.1 ± 4.2 kJ/mol Hieber and Romberg, 1935, 69.9 ± 4.2 kJ/mol Rezukhina and Shvyrev, 1952, and 78.9 ± 1.1 kJ/mol Daamen, Ernsting, et al., 1979 Boxhoorn, Ernsting, et al., 1980. See also Pilcher, Ware, et al., 1975; MS |
ΔrH° | 296.1 ± 1.8 | kJ/mol | TD-HZC | Barnes, Pilcher, et al., 1974 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
(solution) + 3 (solution) = 3C5O5Ru (solution)
By formula: C12O12Ru3 (solution) + 3CO (solution) = 3C5O5Ru (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.0 ± 1.1 | kJ/mol | EqS | Koelliker and Bor, 1991 | solvent: Isooctane; Temperature range: 373-448 K; MS |
ΔrH° | -27.1 ± 1.9 | kJ/mol | EqS | Bor, 1986 | solvent: n-Hexane; Temperature range: ca. 348-448 K; MS |
(solution) = C7Co2O7 (solution) + (solution)
By formula: C8Co2O8 (solution) = C7Co2O7 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.7 | kJ/mol | KinS | Ungváry and Markó, 1974 | solvent: Heptane; Temperature range: 298-328 K; MS |
ΔrH° | 87.9 | kJ/mol | KinS | Ungváry, 1972 | solvent: Heptane; Temperature range: 307-337 K; MS |
(cr) + (l) = C10H5NO5W (cr) + (g)
By formula: C6O6W (cr) + C4H4N2 (l) = C10H5NO5W (cr) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.6 | kJ/mol | N/A | Nakashima and Adamson, 1982 | The reaction enthalpy was calculated from the enthalpy of the reaction W(CO)6(solution) + py(solution) = W(CO)5(py)(solution) + CO(solution) in cyclohexane, 27.4 ± 2.9 kJ/mol, together with the enthalpies of solution of W(CO)6(cr), W(CO)5(py)(cr), and py(l), 35.7, 36.4, and 7.9 kJ/mol, respectively Nakashima and Adamson, 1982.; MS |
By formula: CHO+ + CO = (CHO+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.2 | kJ/mol | PHPMS | Jennings, Headley, et al., 1982 | gas phase; M |
ΔrH° | 53.6 | kJ/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
ΔrH° | 49.0 | kJ/mol | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 94.1 | J/mol*K | PHPMS | Jennings, Headley, et al., 1982 | gas phase; M |
ΔrS° | 100. | J/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
ΔrS° | 87.4 | J/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1974 | gas phase; M |
By formula: Co+ + CO = (Co+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 174. ± 7.1 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 160. ± 10. | kJ/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
174. (+6.7,-0.) | CID | Goebel, Haynes, et al., 1995 | gas phase; guided ion beam CID; M | |
163. (+20.,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
(solution) + (solution) = C12H16MoO5 (solution) + (solution)
By formula: C6MoO6 (solution) + C7H16 (solution) = C12H16MoO5 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 135. ± 12. | kJ/mol | PAC | Johnson, Popov, et al., 1991 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS |
ΔrH° | 133.1 ± 5.4 | kJ/mol | PAC | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS |
By formula: C2FeO2 (g) = CO (g) + CFeO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 154. ± 15. | kJ/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | >113. | kJ/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5.; MS |
ΔrH° | 100. ± 29. | kJ/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
By formula: C4NiO4 (g) = 4CO (g) + Ni (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 160.4 ± 2.5 | kJ/mol | EqG | Monteil, Raffin, et al., 1988 | The reaction enthalpy is the average of several 2nd and 3rd law results Monteil, Raffin, et al., 1988; MS |
By formula: Ni+ + CO = (Ni+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 160. ± 10. | kJ/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; determined from MKER and theory; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
174. (+10.,-0.) | CID | Khan, Steele, et al., 1995 | gas phase; guided ion beam CID; M | |
178. (+9.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: C3FeO3 (g) = CO (g) + C2FeO2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 122. ± 24. | kJ/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | 105. | kJ/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5.; MS |
ΔrH° | 137. ± 29. | kJ/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
CFeO (g) = (g) + (g)
By formula: CFeO (g) = CO (g) + Fe (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35. ± 15. | kJ/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | <163. | kJ/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5.; MS |
ΔrH° | 87. ± 29. | kJ/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
By formula: C4FeO4 (g) = C3FeO3 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 117. ± 36. | kJ/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | 42. | kJ/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5.; MS |
ΔrH° | 19. ± 39. | kJ/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
(solution) = C3NiO3 (solution) + (solution)
By formula: C4NiO4 (solution) = C3NiO3 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 94.6 | kJ/mol | KinS | Turner, Simpson, et al., 1983 | solvent: Liquid krypton; The reaction enthalpy relies on the experimental value for the activation enthalpy, 94.6 kJ/mol, and on the assumption that the activation enthalpy for product recombination is negligible Turner, Simpson, et al., 1983.; MS |
(CAS Reg. No. 71564-27-7 • 4294967295) + = CAS Reg. No. 71564-27-7
By formula: (CAS Reg. No. 71564-27-7 • 4294967295CO) + CO = CAS Reg. No. 71564-27-7
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 145. ± 40. | kJ/mol | N/A | Nakajima, Taguwa, et al., 1994 | gas phase; Vertical Detachment Energy: 3.02±0.13 eV; B |
ΔrH° | 150. ± 50. | kJ/mol | N/A | Engelking and Lineberger, 1979 | gas phase; B |
ΔrH° | 174. ± 10. | kJ/mol | CIDT | Sunderlin, Wang, et al., 1992 | gas phase; Affinity: CO..Fe(CO)3-; B |
By formula: C15H10O = C14H10 + CO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28. ± 5.0 | kJ/mol | Cpha | Hung and Grabowski, 1992 | liquid phase; solvent: Alkane; ALS |
ΔrH° | 18. ± 10. | kJ/mol | Cpha | Herman and Goodman, 1989 | solid phase; solvent: Acetonitrile/water; ALS |
ΔrH° | -41. ± 12. | kJ/mol | Cpha | Grabowski, Simon, et al., 1984 | liquid phase; solvent: Benzene; ALS |
By formula: (CHO+ • 2CO) + CO = (CHO+ • 3CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19. ± 1. | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 26. | kJ/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 66.1 | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 110. | J/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
By formula: (CHO+ • 3CO) + CO = (CHO+ • 4CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19. ± 1. | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 26. | kJ/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 76.1 | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 120. | J/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
By formula: (CHO+ • 4CO) + CO = (CHO+ • 5CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. ± 1. | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 24. | kJ/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.8 | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 130. | J/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
By formula: (CHO+ • CO) + CO = (CHO+ • 2CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 1. | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 28. | kJ/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 62.8 | J/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 100. | J/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
CNiO (g) = (g) + (g)
By formula: CNiO (g) = CO (g) + Ni (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 170. ± 24. | kJ/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | 108. | kJ/mol | N/A | McQuaid, Morris, et al., 1988 | Method: Chemiluminescence spectroscopy.; MS |
ΔrH° | 121. ± 63. | kJ/mol | N/A | Stevens, Feigerle, et al., 1982 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
By formula: (Co+ • CO) + CO = (Co+ • 2CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 153. ± 9.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
152. (+8.8,-0.) | CID | Goebel, Haynes, et al., 1995 | gas phase; guided ion beam CID; M | |
138. (+20.,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Fe+ + CO = (Fe+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 129. ± 4.2 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 130. ± 10. | kJ/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; determined from MKER and theory; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
131. (+7.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
(solution) + (solution) = (solution)
By formula: C6H3MnO5 (solution) + CO (solution) = C7H3MnO6 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -56.1 ± 4.2 | kJ/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran; MS |
ΔrH° | -52.7 | kJ/mol | EqS | Calderazzo, 1977 | solvent: 2,2'-diethoxydiethyl ether; MS |
By formula: C4HCoO4 (g) = 0.5H2 (g) + 4CO (g) + Co (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 127.1 ± 2.1 | kJ/mol | EqG | Bronshstein, Gankin, et al., 1966 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970. Temperature range: ca. 423-533 K; MS |
By formula: (Na+ • CO) + CO = (Na+ • 2CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24. ± 3. | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 24. ± 3. | kJ/mol | CIDT | Walter, Sievers, et al., 1998 | RCD |
ΔrH° | 31. | kJ/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 63.2 | J/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
(solution) + (solution) = C10H5NO5W (solution) + (solution)
By formula: C6O6W (solution) + C4H4N2 (solution) = C10H5NO5W (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.4 ± 2.9 | kJ/mol | PC | Nakashima and Adamson, 1982 | solvent: Cyclohexane; MS |
ΔrH° | 24.9 ± 2.9 | kJ/mol | PC | Nakashima and Adamson, 1982 | solvent: Benzene; MS |
ΔrH° | 18.4 ± 0.4 | kJ/mol | PC | Nakashima and Adamson, 1982 | solvent: Tetrahydrofuran; MS |
By formula: Na+ + CO = (Na+ • CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 32. ± 7.9 | kJ/mol | CIDT | Walter, Sievers, et al., 1998 | RCD |
ΔrH° | 52.7 | kJ/mol | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 85.4 | J/mol*K | HPMS | Castleman, Peterson, et al., 1983 | gas phase; M |
(g) = C3NiO3 (g) + (g)
By formula: C4NiO4 (g) = C3NiO3 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 104. ± 8. | kJ/mol | N/A | Stevens, Feigerle, et al., 1982 | Please also see Compton and Stockdale, 1976. The enthalpy of formation relies on -602.5 ± 2.6 kJ/mol for the enthalpy of formation of Ni(CO)4(g) Method: LPS and collision with low energy electrons.; MS |
By formula: (CO+ • 2CO) + CO = (CO+ • 3CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.2 | kJ/mol | PHPMS | Hiraoka and Mori, 1991 | gas phase; two isomers, at low and high temperatures; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka and Mori, 1991 | gas phase; two isomers, at low and high temperatures; M |
By formula: (CO+ • 5CO) + CO = (CO+ • 6CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kJ/mol | PHPMS | Hiraoka and Mori, 1991 | gas phase; two isomers, at low and high temperatures; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79.9 | J/mol*K | PHPMS | Hiraoka and Mori, 1991 | gas phase; two isomers, at low and high temperatures; M |
C34H52OTh (solution) + (solution) = C35H52O2Th (solution)
By formula: C34H52OTh (solution) + CO (solution) = C35H52O2Th (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -24.7 ± 6.3 | kJ/mol | EqS | Moloy and Marks, 1984 | solvent: Toluene; Temperature range: ca. 180-200 K; MS |
C29H50OTh (solution) + (solution) = C30H50O2Th (solution)
By formula: C29H50OTh (solution) + CO (solution) = C30H50O2Th (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.8 ± 3.8 | kJ/mol | EqS | Moloy and Marks, 1984 | solvent: Toluene; Temperature range: ca. 180-220 K; MS |
By formula: C6MoO6 (cr) = 6CO (g) + Mo (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 325.9 ± 1.5 | kJ/mol | TD-HZC | Barnes, Pilcher, et al., 1974, 2 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
ΔrH° | 297.1 ± 4.2 | kJ/mol | TD-HFC | Connor, Skinner, et al., 1972 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
By formula: (CHO+ • 14CO) + CO = (CHO+ • 15CO)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.36 | kJ/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96. | J/mol*K | N/A | Hiraoka and Mori, 1989 | gas phase; Entropy change calculated or estimated; M |
(solution) + (solution) = C11H10CrO (solution)
By formula: C10H10Cr (solution) + CO (solution) = C11H10CrO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -78.7 ± 2.1 | kJ/mol | EqS | Wong and Brintzinger, 1975 | solvent: Toluene; Temperature range: 280-308 K; MS |
By formula: C6CrO6 (cr) = 6CO (g) + Cr (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 266. ± 4. | kJ/mol | TD-HFC | Al-Takhin, Connor, et al., 1984, 2 | MS |
ΔrH° | 314.9 ± 0.9 | kJ/mol | TD-HZC | Pittam, Pilcher, et al., 1975 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
ΔrH° | 269.4 ± 4.7 | kJ/mol | TD-HFC | Connor, Skinner, et al., 1972 | MS |
2 (solution) = C12Co4O12 (solution) + 4 (solution)
By formula: 2C8Co2O8 (solution) = C12Co4O12 (solution) + 4CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 123.4 ± 2.1 | kJ/mol | EqS | Bor and Dietler, 1980 | solvent: Hexane; Temperature range: 378-418 K; MS |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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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Pittam, Pilcher, et al., 1975
Pittam, D.A.; Pilcher, G.; Barnes, D.S.; Skinner, H.A.; Todd, D.,
J. Less-Common Met., 1975, 42, 217. [all data]
Bor and Dietler, 1980
Bor, G.; Dietler, U.K.,
J. Organometal. Chem., 1980, 191, 295. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature ΔfH°gas Enthalpy of formation of gas at standard conditions 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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