Carbon monoxide

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Henry's Law 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
Δfgas-110.53 ± 0.17kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-110.53kJ/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar197.660 ± 0.004J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar197.66J/mol*KReviewChase, 1998Data 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 25.5675935.15070
B 6.0961301.300095
C 4.054656-0.205921
D -2.6713010.013550
E 0.131021-3.282780
F -118.0089-127.8375
G 227.3665231.7120
H -110.5271-110.5271
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Henry's Law 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
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

Manganese, tricarbonyl(η5-2,4-cyclopentadien-1-yl)- (solution) + Heptane (solution) = C14H21MnO2 (solution) + Carbon monoxide (solution)

By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr196. ± 7.kJ/molAVGN/AAverage of 18 values; Individual data points

Chromium hexacarbonyl (solution) + Heptane (solution) = C12H16CrO5 (solution) + Carbon monoxide (solution)

By formula: C6CrO6 (solution) + C7H16 (solution) = C12H16CrO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr113. ± 3.kJ/molAVGN/AAverage of 13 values; Individual data points

Chromium hexacarbonyl (solution) = C5CrO5 (solution) + Carbon monoxide (solution)

By formula: C6CrO6 (solution) = C5CrO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr168.2 ± 2.5kJ/molKinSGraham and Angelici, 1967solvent: 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
Δr159.4kJ/molKinSWerner and Prinz, 1966solvent: 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

Molybdenum hexacarbonyl (solution) = C5MoO5 (solution) + Carbon monoxide (solution)

By formula: C6MoO6 (solution) = C5MoO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr132.6 ± 5.9kJ/molKinSGraham and Angelici, 1967solvent: 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
Δr126.4kJ/molKinSWerner and Prinz, 1966solvent: 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

Tungsten hexacarbonyl (solution) = C5O5W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) = C5O5W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr166.9 ± 6.7kJ/molKinSGraham and Angelici, 1967solvent: 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
Δr163.2kJ/molKinSWerner and Prinz, 1966solvent: 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) + Carbon monoxide (solution) = Hydrogen (g) + Osmium, dodecacarbonyltri-, triangulo (solution)

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

Quantity Value Units Method Reference Comment
Δr-37.7 ± 9.6kJ/molES/KSPoë, Sampson, et al., 1993solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993.; MS
Δr-77.4 ± 9.7kJ/molN/APoë, Sampson, et al., 1993solvent: 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

Iron pentacarbonyl (g) = C4FeO4 (g) + Carbon monoxide (g)

By formula: C5FeO5 (g) = C4FeO4 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr174. ± 13.kJ/molLPHPLewis, Golden, et al., 1984Please 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
Δr232. ± 48.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

Molybdenum hexacarbonyl (g) = C5MoO5 (g) + Carbon monoxide (g)

By formula: C6MoO6 (g) = C5MoO5 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr146. ± 21.kJ/molKinGGanske and Rosenfeld, 1990MS
Δr170. ± 13.kJ/molLPHPLewis, Golden, et al., 1984The 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
Δr126.4kJ/molKinGCetini and Gambino, 1963Please 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

Tungsten hexacarbonyl (g) = C5O5W (g) + Carbon monoxide (g)

By formula: C6O6W (g) = C5O5W (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr193. ± 13.kJ/molLPHPLewis, Golden, et al., 1984The 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
Δr166.5kJ/molKinGCetini and Gambino, 1963, 2Please 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

Chromium hexacarbonyl (g) = C5CrO5 (g) + Carbon monoxide (g)

By formula: C6CrO6 (g) = C5CrO5 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr155. ± 21.kJ/molKinGFletcher and Rosenfeld, 1988MS
Δr154. ± 13.kJ/molLPHPLewis, Golden, et al., 1984Temperature 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
Δr161.9kJ/molKinGPajaro, Calderazzo, et al., 1960Please 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) + Carbon monoxide (solution) = Chromium hexacarbonyl (solution) + 1,3-Diazine (solution)

By formula: C10H5CrNO5 (solution) + CO (solution) = C6CrO6 (solution) + C4H4N2 (solution)

Quantity Value Units Method Reference Comment
Δr-61.9kJ/molKinSWovkulich and Atwood, 1980solvent: 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

CO+ + Carbon monoxide = (CO+ • Carbon monoxide)

By formula: CO+ + CO = (CO+ • CO)

Quantity Value Units Method Reference Comment
Δr67.kJ/molPIPECONorwood, Guo, et al., 1988gas phase; CO+ in state B, ΔrH>; M
Δr93.7kJ/molPILinn, Ono, et al., 1981gas phase; M
Δr120. ± 30.kJ/molEIMunson and Franlin, 1962gas phase; from IP'switching reaction and heats of formation; M
Δr106.kJ/molPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
21.340.HPMSChong and Franklin, 1971gas phase; equilibrium uncertain; M
48.1695.PHPMSMeot-Ner (Mautner) and Field, 1974gas phase; ΔrH>, DG>; M

Tungsten hexacarbonyl (cr) = 6Carbon monoxide (g) + tungsten (cr)

By formula: C6O6W (cr) = 6CO (g) + W (cr)

Quantity Value Units Method Reference Comment
Δr298.8 ± 4.7kJ/molTD-HFC, HAL-HFCAl-Takhin, Connor, et al., 1984The 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
Δr296.1 ± 1.8kJ/molTD-HZCBarnes, Pilcher, et al., 1974Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS

Tri-ruthenium dodecacarbonyl (solution) + 3Carbon monoxide (solution) = 3C5O5Ru (solution)

By formula: C12O12Ru3 (solution) + 3CO (solution) = 3C5O5Ru (solution)

Quantity Value Units Method Reference Comment
Δr-13.0 ± 1.1kJ/molEqSKoelliker and Bor, 1991solvent: Isooctane; Temperature range: 373-448 K; MS
Δr-27.1 ± 1.9kJ/molEqSBor, 1986solvent: n-Hexane; Temperature range: ca. 348-448 K; MS

Dicobalt octacarbonyl (solution) = C7Co2O7 (solution) + Carbon monoxide (solution)

By formula: C8Co2O8 (solution) = C7Co2O7 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr92.7kJ/molKinSUngváry and Markó, 1974solvent: Heptane; Temperature range: 298-328 K; MS
Δr87.9kJ/molKinSUngváry, 1972solvent: Heptane; Temperature range: 307-337 K; MS

Tungsten hexacarbonyl (cr) + 1,3-Diazine (l) = C10H5NO5W (cr) + Carbon monoxide (g)

By formula: C6O6W (cr) + C4H4N2 (l) = C10H5NO5W (cr) + CO (g)

Quantity Value Units Method Reference Comment
Δr34.6kJ/molN/ANakashima and Adamson, 1982The 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

Formyl cation + Carbon monoxide = (Formyl cation • Carbon monoxide)

By formula: CHO+ + CO = (CHO+ • CO)

Quantity Value Units Method Reference Comment
Δr45.2kJ/molPHPMSJennings, Headley, et al., 1982gas phase; M
Δr53.6kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Δr49.0kJ/molPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KPHPMSJennings, Headley, et al., 1982gas phase; M
Δr100.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Δr87.4J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1974gas phase; M

Cobalt ion (1+) + Carbon monoxide = (Cobalt ion (1+) • Carbon monoxide)

By formula: Co+ + CO = (Co+ • CO)

Quantity Value Units Method Reference Comment
Δr174. ± 7.1kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr160. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
174. (+6.7,-0.) CIDGoebel, Haynes, et al., 1995gas phase; guided ion beam CID; M
163. (+20.,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Molybdenum hexacarbonyl (solution) + Heptane (solution) = C12H16MoO5 (solution) + Carbon monoxide (solution)

By formula: C6MoO6 (solution) + C7H16 (solution) = C12H16MoO5 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr135. ± 12.kJ/molPACJohnson, Popov, et al., 1991solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS
Δr133.1 ± 5.4kJ/molPACMorse, Parker, et al., 1989solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS

C2FeO2 (g) = Carbon monoxide (g) + CFeO (g)

By formula: C2FeO2 (g) = CO (g) + CFeO (g)

Quantity Value Units Method Reference Comment
Δr154. ± 15.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr>113.kJ/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr100. ± 29.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

Nickel tetracarbonyl (g) = 4Carbon monoxide (g) + nickel (cr)

By formula: C4NiO4 (g) = 4CO (g) + Ni (cr)

Quantity Value Units Method Reference Comment
Δr160.4 ± 2.5kJ/molEqGMonteil, Raffin, et al., 1988The reaction enthalpy is the average of several 2nd and 3rd law results Monteil, Raffin, et al., 1988; MS

Nickel ion (1+) + Carbon monoxide = (Nickel ion (1+) • Carbon monoxide)

By formula: Ni+ + CO = (Ni+ • CO)

Quantity Value Units Method Reference Comment
Δr160. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; determined from MKER and theory; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
174. (+10.,-0.) CIDKhan, Steele, et al., 1995gas phase; guided ion beam CID; M
178. (+9.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

C3FeO3 (g) = Carbon monoxide (g) + C2FeO2 (g)

By formula: C3FeO3 (g) = CO (g) + C2FeO2 (g)

Quantity Value Units Method Reference Comment
Δr122. ± 24.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr105.kJ/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr137. ± 29.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

CFeO (g) = Carbon monoxide (g) + iron (g)

By formula: CFeO (g) = CO (g) + Fe (g)

Quantity Value Units Method Reference Comment
Δr35. ± 15.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr<163.kJ/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr87. ± 29.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

C4FeO4 (g) = C3FeO3 (g) + Carbon monoxide (g)

By formula: C4FeO4 (g) = C3FeO3 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr117. ± 36.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr42.kJ/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr19. ± 39.kJ/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

Nickel tetracarbonyl (solution) = C3NiO3 (solution) + Carbon monoxide (solution)

By formula: C4NiO4 (solution) = C3NiO3 (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr94.6kJ/molKinSTurner, Simpson, et al., 1983solvent: 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 • 4294967295Carbon monoxide) + Carbon monoxide = 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
Δr145. ± 40.kJ/molN/ANakajima, Taguwa, et al., 1994gas phase; Vertical Detachment Energy: 3.02±0.13 eV; B
Δr150. ± 50.kJ/molN/AEngelking and Lineberger, 1979gas phase; B
Δr174. ± 10.kJ/molCIDTSunderlin, Wang, et al., 1992gas phase; Affinity: CO..Fe(CO)3-; B

2-Cyclopropen-1-one, 2,3-diphenyl- = Diphenylacetylene + Carbon monoxide

By formula: C15H10O = C14H10 + CO

Quantity Value Units Method Reference Comment
Δr-28. ± 5.0kJ/molCphaHung and Grabowski, 1992liquid phase; solvent: Alkane; ALS
Δr18. ± 10.kJ/molCphaHerman and Goodman, 1989solid phase; solvent: Acetonitrile/water; ALS
Δr-41. ± 12.kJ/molCphaGrabowski, Simon, et al., 1984liquid phase; solvent: Benzene; ALS

(Formyl cation • 2Carbon monoxide) + Carbon monoxide = (Formyl cation • 3Carbon monoxide)

By formula: (CHO+ • 2CO) + CO = (CHO+ • 3CO)

Quantity Value Units Method Reference Comment
Δr19. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr26.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr66.1J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr110.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

(Formyl cation • 3Carbon monoxide) + Carbon monoxide = (Formyl cation • 4Carbon monoxide)

By formula: (CHO+ • 3CO) + CO = (CHO+ • 4CO)

Quantity Value Units Method Reference Comment
Δr19. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr26.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr76.1J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr120.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

(Formyl cation • 4Carbon monoxide) + Carbon monoxide = (Formyl cation • 5Carbon monoxide)

By formula: (CHO+ • 4CO) + CO = (CHO+ • 5CO)

Quantity Value Units Method Reference Comment
Δr18. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr24.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr95.8J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr130.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

(Formyl cation • Carbon monoxide) + Carbon monoxide = (Formyl cation • 2Carbon monoxide)

By formula: (CHO+ • CO) + CO = (CHO+ • 2CO)

Quantity Value Units Method Reference Comment
Δr20. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr28.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr62.8J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr100.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

CNiO (g) = Carbon monoxide (g) + nickel (g)

By formula: CNiO (g) = CO (g) + Ni (g)

Quantity Value Units Method Reference Comment
Δr170. ± 24.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr108.kJ/molN/AMcQuaid, Morris, et al., 1988Method: Chemiluminescence spectroscopy.; MS
Δr121. ± 63.kJ/molN/AStevens, Feigerle, et al., 1982Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

(Cobalt ion (1+) • Carbon monoxide) + Carbon monoxide = (Cobalt ion (1+) • 2Carbon monoxide)

By formula: (Co+ • CO) + CO = (Co+ • 2CO)

Quantity Value Units Method Reference Comment
Δr153. ± 9.2kJ/molCIDTRodgers and Armentrout, 2000RCD

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
152. (+8.8,-0.) CIDGoebel, Haynes, et al., 1995gas phase; guided ion beam CID; M
138. (+20.,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Iron ion (1+) + Carbon monoxide = (Iron ion (1+) • Carbon monoxide)

By formula: Fe+ + CO = (Fe+ • CO)

Quantity Value Units Method Reference Comment
Δr129. ± 4.2kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr130. ± 10.kJ/molMKERCarpenter, van Koppen, et al., 1995gas phase; determined from MKER and theory; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
131. (+7.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Manganese, pentacarbonylmethyl- (solution) + Carbon monoxide (solution) = Manganese, acetylpentacarbonyl-, (OC-6-21)- (solution)

By formula: C6H3MnO5 (solution) + CO (solution) = C7H3MnO6 (solution)

Quantity Value Units Method Reference Comment
Δr-56.1 ± 4.2kJ/molRSCNolan, López de la Vega, et al., 1986solvent: Tetrahydrofuran; MS
Δr-52.7kJ/molEqSCalderazzo, 1977solvent: 2,2'-diethoxydiethyl ether; MS

Cobalt, tetracarbonylhydro- (g) = 0.5Hydrogen (g) + 4Carbon monoxide (g) + cobalt (cr)

By formula: C4HCoO4 (g) = 0.5H2 (g) + 4CO (g) + Co (cr)

Quantity Value Units Method Reference Comment
Δr127.1 ± 2.1kJ/molEqGBronshstein, Gankin, et al., 1966Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970. Temperature range: ca. 423-533 K; MS

(Sodium ion (1+) • Carbon monoxide) + Carbon monoxide = (Sodium ion (1+) • 2Carbon monoxide)

By formula: (Na+ • CO) + CO = (Na+ • 2CO)

Quantity Value Units Method Reference Comment
Δr24. ± 3.kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr24. ± 3.kJ/molCIDTWalter, Sievers, et al., 1998RCD
Δr31.kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr63.2J/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

Tungsten hexacarbonyl (solution) + 1,3-Diazine (solution) = C10H5NO5W (solution) + Carbon monoxide (solution)

By formula: C6O6W (solution) + C4H4N2 (solution) = C10H5NO5W (solution) + CO (solution)

Quantity Value Units Method Reference Comment
Δr27.4 ± 2.9kJ/molPCNakashima and Adamson, 1982solvent: Cyclohexane; MS
Δr24.9 ± 2.9kJ/molPCNakashima and Adamson, 1982solvent: Benzene; MS
Δr18.4 ± 0.4kJ/molPCNakashima and Adamson, 1982solvent: Tetrahydrofuran; MS

Sodium ion (1+) + Carbon monoxide = (Sodium ion (1+) • Carbon monoxide)

By formula: Na+ + CO = (Na+ • CO)

Quantity Value Units Method Reference Comment
Δr32. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr32. ± 7.9kJ/molCIDTWalter, Sievers, et al., 1998RCD
Δr52.7kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

Nickel tetracarbonyl (g) = C3NiO3 (g) + Carbon monoxide (g)

By formula: C4NiO4 (g) = C3NiO3 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr104. ± 8.kJ/molN/AStevens, Feigerle, et al., 1982Please 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

(CO+ • 2Carbon monoxide) + Carbon monoxide = (CO+ • 3Carbon monoxide)

By formula: (CO+ • 2CO) + CO = (CO+ • 3CO)

Quantity Value Units Method Reference Comment
Δr30.2kJ/molPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M

(CO+ • 5Carbon monoxide) + Carbon monoxide = (CO+ • 6Carbon monoxide)

By formula: (CO+ • 5CO) + CO = (CO+ • 6CO)

Quantity Value Units Method Reference Comment
Δr11.3kJ/molPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M
Quantity Value Units Method Reference Comment
Δr79.9J/mol*KPHPMSHiraoka and Mori, 1991gas phase; two isomers, at low and high temperatures; M

C34H52OTh (solution) + Carbon monoxide (solution) = C35H52O2Th (solution)

By formula: C34H52OTh (solution) + CO (solution) = C35H52O2Th (solution)

Quantity Value Units Method Reference Comment
Δr-24.7 ± 6.3kJ/molEqSMoloy and Marks, 1984solvent: Toluene; Temperature range: ca. 180-200 K; MS

C29H50OTh (solution) + Carbon monoxide (solution) = C30H50O2Th (solution)

By formula: C29H50OTh (solution) + CO (solution) = C30H50O2Th (solution)

Quantity Value Units Method Reference Comment
Δr-18.8 ± 3.8kJ/molEqSMoloy and Marks, 1984solvent: Toluene; Temperature range: ca. 180-220 K; MS

Molybdenum hexacarbonyl (cr) = 6Carbon monoxide (g) + molybdenum (cr)

By formula: C6MoO6 (cr) = 6CO (g) + Mo (cr)

Quantity Value Units Method Reference Comment
Δr325.9 ± 1.5kJ/molTD-HZCBarnes, Pilcher, et al., 1974, 2Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Δr297.1 ± 4.2kJ/molTD-HFCConnor, Skinner, et al., 1972Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS

(Formyl cation • 14Carbon monoxide) + Carbon monoxide = (Formyl cation • 15Carbon monoxide)

By formula: (CHO+ • 14CO) + CO = (CHO+ • 15CO)

Quantity Value Units Method Reference Comment
Δr7.36kJ/molPHPMSHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KN/AHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M

bis(η(5)-Cyclopentadienyl) chromium (solution) + Carbon monoxide (solution) = C11H10CrO (solution)

By formula: C10H10Cr (solution) + CO (solution) = C11H10CrO (solution)

Quantity Value Units Method Reference Comment
Δr-78.7 ± 2.1kJ/molEqSWong and Brintzinger, 1975solvent: Toluene; Temperature range: 280-308 K; MS

Chromium hexacarbonyl (cr) = 6Carbon monoxide (g) + chromium (cr)

By formula: C6CrO6 (cr) = 6CO (g) + Cr (cr)

Quantity Value Units Method Reference Comment
Δr266. ± 4.kJ/molTD-HFCAl-Takhin, Connor, et al., 1984, 2MS
Δr314.9 ± 0.9kJ/molTD-HZCPittam, Pilcher, et al., 1975Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Δr269.4 ± 4.7kJ/molTD-HFCConnor, Skinner, et al., 1972MS

2Dicobalt octacarbonyl (solution) = C12Co4O12 (solution) + 4Carbon monoxide (solution)

By formula: 2C8Co2O8 (solution) = C12Co4O12 (solution) + 4CO (solution)

Quantity Value Units Method Reference Comment
Δr123.4 ± 2.1kJ/molEqSBor and Dietler, 1980solvent: Hexane; Temperature range: 378-418 K; MS

Henry's Law data

Go To: Top, Gas phase thermochemistry 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.000991300.LN/A 
0.000951600.QN/AOnly the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical.
0.00086 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.000951300.LN/A 
0.00082 cN/A 
0.0074 MN/A 

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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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Sunderlin, L.S.; Wang, D.; Squires, R.R., Metal Carbonyl Bond Strengths in Fe(CO)n- and Ni(CO)n-, J. Am. Chem. Soc., 1992, 114, 8, 2788, https://doi.org/10.1021/ja00034a004 . [all data]

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Engelking, P.C.; Lineberger, W.C., Laser photoelectron spectrometry of the negative ions of iron and iron carbonyls. Electron affinity determination for the series Fe(CO)n,n=0,1,2,3,4, J. Am. Chem. Soc., 1979, 101, 5569. [all data]

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Linn, S.H.; Ono, Y.; Ng, C.Y., Molecular Beam Photoionization Study of CO, N2, and NO Dimers and Clusters, J. Chem. Phys., 1981, 74, 6, 3342, https://doi.org/10.1063/1.441486 . [all data]

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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]

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Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

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Carpenter, C.J.; van Koppen, P.A.M.; Bowers, M.T., Details of Potential Energy Surfaces Involving C-C Bond Activation: Reactions of Fe+, Co+ and Ni+ with Acetone, J. Am. Chem. Soc., 1995, 117, 44, 10976, https://doi.org/10.1021/ja00149a021 . [all data]

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Goebel, S.; Haynes, C.L.; Khan, F.A.; Armentrout, P.B., Collision-Induced Dissociation Studies of Co(CO)x, x = 1-5: Sequential Bond Energies and the Heat of Formation of Co(CO)4, J. Am. Chem. Soc., 1995, 117, 26, 6994, https://doi.org/10.1021/ja00131a023 . [all data]

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Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

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Khan, F.A.; Steele, D.L.; Armentrout, P.B., Ligand effects in organometallic thermochemistry: The sequential bond energies of Ni(CO)x+ and Ni(N2)x+ (x = 1-4) and Ni(NO)x+ (x = 1-3) [Data derived from reported bond energies taking value of 8.273±0.046 eV for IE[Ni(CO)4]], J. Phys. Chem., 1995, 99, 7819. [all data]

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Hiraoka, K.; Mori, T., Gas Phase Stabilities of the Cluster Ions H+(CO)2(CO)n, H+(N2)2(N2)n and H+(O2)2(O2)n with n = 1 - 14, Chem. Phys., 1989, 137, 1-3, 345, https://doi.org/10.1016/0301-0104(89)87119-8 . [all data]

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Walter, D.; Sievers, M.R.; Armentrout, P.B., Alkali Ion Carbonyls: Sequential Bond Energies of Li+(CO)x (x=1-3), Na+(CO)x (x=1, 2), and K+(CO), Int. J. Mass Spectrom., 1998, 175, 1-2, 93, https://doi.org/10.1016/S0168-1176(98)00109-8 . [all data]

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Bor, G.; Dietler, U.K., J. Organometal. Chem., 1980, 191, 295. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References