Nickel tetracarbonyl
- Formula: C4NiO4
- Molecular weight: 170.7338
- IUPAC Standard InChIKey: AWDHUGLHGCVIEG-UHFFFAOYSA-N
- CAS Registry Number: 13463-39-3
- 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: Nickel carbonyl (Ni(CO)4); Nickel carbonyl (Ni(CO)4), (T-4)-; Nickel carbonyl; Tetracarbonyl nickel; Ni(CO)4; Nickel carbonyle; Nichel tetracarbonile; Nikkeltetracarbonyl; Nickel tetracarbonyle; Rcra waste number P073; UN 1259
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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 |
---|---|---|---|---|---|
ΔfH°gas | -601.58 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1978 |
ΔfH°gas | -594.8 ± 4.3 | kJ/mol | Review | Martinho Simões | MS |
ΔfH°gas | -605.8 ± 4.5 | kJ/mol | Review | Martinho Simões | MS |
ΔfH°gas | -602.5 ± 2.6 | kJ/mol | Review | Martinho Simões | MS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 415.53 | J/mol*K | Review | Chase, 1998 | Data 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. to 1500. | 1500. to 6000. |
---|---|---|
A | 142.1840 | 202.6629 |
B | 73.15138 | 2.826121 |
C | -29.39775 | -0.456035 |
D | 3.701526 | 0.029612 |
E | -1.081029 | -18.39500 |
F | -650.5869 | -701.6484 |
G | 560.9824 | 609.6716 |
H | -601.5755 | -601.5755 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1978 | Data last reviewed in March, 1978 |
Condensed phase thermochemistry 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 as indicated in comments:
MS - José A. Martinho Simões
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -631.78 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1978 |
ΔfH°liquid | -633.4 ± 4.3 | kJ/mol | Review | Martinho Simões | MS |
ΔfH°liquid | -630.1 ± 2.9 | kJ/mol | Review | Martinho Simões | MS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1180.3 ± 4.2 | kJ/mol | CC-SB | Fischer, Cotton, et al., 1957 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 319.56 | J/mol*K | Review | Chase, 1998 | Data 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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Temperature (K) | 298. to 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 |
Reference | Chase, 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
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 |
(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. |
(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. |
By formula: 4CO (g) + Ni (cr) = C4NiO4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -152.7 ± 4.2 | kJ/mol | EqG | Sykes and Townshend, 1955 | Please 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) = (g) + (g)
By formula: C9FeNiO9 (g) = C4NiO4 (g) + C5FeO5 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.7 | kJ/mol | EqG | Baev and Fedulova, 1983 | Temperature 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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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