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Nickel tetracarbonyl


Gas phase thermochemistry data

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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

Quantity Value Units Method Reference Comment
Deltafgas-601.58kJ/molReviewChase, 1998Data last reviewed in March, 1978
Deltafgas-594.8 ± 4.3kJ/molReviewMartinho SimõesMS
Deltafgas-605.8 ± 4.5kJ/molReviewMartinho SimõesMS
Deltafgas-602.5 ± 2.6kJ/molReviewMartinho SimõesMS
Quantity Value Units Method Reference Comment
gas,1 bar415.53J/mol*KReviewChase, 1998Data last reviewed in March, 1978

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) 700. - 1500.1500. - 6000.
A 142.1840202.6629
B 73.151382.826121
C -29.39775-0.456035
D 3.7015260.029612
E -1.081029-18.39500
F -650.5869-701.6484
G 560.9824609.6716
H -601.5755-601.5755
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1978 Data last reviewed in March, 1978

Condensed phase thermochemistry data

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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

Quantity Value Units Method Reference Comment
Deltafliquid-631.78kJ/molReviewChase, 1998Data last reviewed in March, 1978
Deltafliquid-633.4 ± 4.3kJ/molReviewMartinho SimõesMS
Deltafliquid-630.1 ± 2.9kJ/molReviewMartinho SimõesMS
Quantity Value Units Method Reference Comment
Deltacliquid-1180.3 ± 4.2kJ/molCC-SBFischer, Cotton, et al., 1957Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS
Quantity Value Units Method Reference Comment
liquid,1 bar319.56J/mol*KReviewChase, 1998Data last reviewed in March, 1978

Liquid 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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View table.

Temperature (K) 298. - 700.
A 186.0001
B 58.69901
C -5.142973
D 2.651126
E 0.019514
F -689.7450
G 527.4643
H -631.7840
ReferenceChase, 1998
Comment Data last reviewed in March, 1978

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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: José A. Martinho Simões

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.

Individual Reactions

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

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

Quantity Value Units Method Reference Comment
Deltar160.4 ± 2.5kJ/molEqGMonteil, Raffin, et al., 1988The reaction enthalpy is the average of several 2nd and 3rd law results Monteil, Raffin, et al., 1988

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

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

Quantity Value Units Method Reference Comment
Deltar94.6kJ/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.

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

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

Quantity Value Units Method Reference Comment
Deltar104. ± 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.

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

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

Quantity Value Units Method Reference Comment
Deltar-152.7 ± 4.2kJ/molEqGSykes and Townshend, 1955Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970. Temperatures: 398 and 409 K. The reaction enthalpy was obtained by the 3rd law method and refers to 298 K

C9FeNiO9 (g) = Nickel tetracarbonyl (g) + Iron pentacarbonyl (g)

By formula: C9FeNiO9 (g) = C4NiO4 (g) + C5FeO5 (g)

Quantity Value Units Method Reference Comment
Deltar37.7kJ/molEqGBaev and Fedulova, 1983Temperature range: 293-313 K

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Fischer, Cotton, et al., 1957
Fischer, A.K.; Cotton, F.A.; Wilkinson, G., J. Am. Chem. Soc., 1957, 79, 2044. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Monteil, Raffin, et al., 1988
Monteil, Y.; Raffin, P.; Bouix, J., Thermochim. Acta, 1988, 125, 327. [all data]

Turner, Simpson, et al., 1983
Turner, J.J.; Simpson, M.B.; Poliakoff, M.; Maier II, W.B., J. Am. Chem. Soc., 1983, 105, 3898. [all data]

Stevens, Feigerle, et al., 1982
Stevens, A.E.; Feigerle, C.S.; Lineberger, W.C., Laser Photoelectron Spectrometry of Ni(CO)n-, n=1-3, J. Am. Chem. Soc., 1982, 104, 19, 5026, https://doi.org/10.1021/ja00383a004 . [all data]

Compton and Stockdale, 1976
Compton, R.N.; Stockdale, J.A.D., Formation of gas phase negative ions in Fe(CO)5 and Ni(CO)4, Int. J. Mass Spectrom. Ion Phys., 1976, 22, 47. [all data]

Sykes and Townshend, 1955
Sykes, K.W.; Townshend, S.C., J. Chem. Soc., 1955, 2528.. [all data]

Baev and Fedulova, 1983
Baev, A.K.; Fedulova, L.G., Russ. J. Phys. Chem., 1983, 57, 1159. [all data]


Notes

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