nickel


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.

Quantity Value Units Method Reference Comment
Δfgas102.80kcal/molReviewChase, 1998Data last reviewed in December, 1976
Quantity Value Units Method Reference Comment
gas,1 bar43.544cal/mol*KReviewChase, 1998Data last reviewed in December, 1976

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) 3156.584 to 6000.
A 6.484530
B -0.618442
C 0.070533
D 0.003633
E 0.009998
F 100.7310
G 51.18650
H 102.8000
ReferenceChase, 1998
Comment Data last reviewed in December, 1976

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.

Quantity Value Units Method Reference Comment
Δfliquid4.178kcal/molReviewChase, 1998Data last reviewed in December, 1976
Quantity Value Units Method Reference Comment
liquid,1 bar9.916cal/mol*KReviewChase, 1998Data last reviewed in December, 1976
Quantity Value Units Method Reference Comment
solid7.139cal/mol*KReviewChase, 1998Data last reviewed in December, 1976

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 1728. to 3156.584
A 9.299960
B 0.000000
C 0.000000
D 0.000000
E 0.000000
F -0.650724
G 17.79910
H 4.177591
ReferenceChase, 1998
Comment Data last reviewed in December, 1976

Solid 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 600.600. to 700.700. to 1728.
A 3.272371298.28993.943210
B 19.71680-300.55214.481150
C -41.815200.000000-1.586961
D 38.623590.0000000.410439
E -0.022088-39.466210.447431
F -1.633281-188.5340-0.111777
G 6.613050289.887912.35080
H 0.0000000.0000000.000000
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment Data last reviewed in December, 1976 Data last reviewed in December, 1976 Data last reviewed in December, 1976

Phase change 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.

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
2083. to 3005.5.9761216808.435-188.717Stull, 1947Coefficents calculated by NIST from author's data.

Reaction 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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.

Individual Reactions

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

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

Quantity Value Units Method Reference Comment
Δr38.34 ± 0.60kcal/molEqGMonteil, Raffin, et al., 1988The reaction enthalpy is the average of several 2nd and 3rd law results Monteil, Raffin, et al., 1988; MS

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

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

Quantity Value Units Method Reference Comment
Δr40.6 ± 5.8kcal/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr25.8kcal/molN/AMcQuaid, Morris, et al., 1988Method: Chemiluminescence spectroscopy.; MS
Δr29. ± 15.kcal/molN/AStevens, Feigerle, et al., 1982Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

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

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

Quantity Value Units Method Reference Comment
Δr-36.5 ± 1.0kcal/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; MS

Nickel, bis[(1,2,5,6-η)-1,5-cyclooctadiene]- (solution) = 21,5-Cyclooctadiene, (Z,Z)- (solution) + nickel (cr)

By formula: (Ni(C8H12)2) (solution) = 2C8H12 (solution) + Ni (cr)

Quantity Value Units Method Reference Comment
Δr-3.0 ± 1.0kcal/molRSCTolman, Reutter D.W., et al., 1976solvent: Toluene; The toluene solution contained catalytic amounts of carbon tetrachloride.; MS

(Nickel ion (1+) • 10nickel) + nickel = (Nickel ion (1+) • 11nickel)

By formula: (Ni+ • 10Ni) + Ni = (Ni+ • 11Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
80.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 11nickel) + nickel = (Nickel ion (1+) • 12nickel)

By formula: (Ni+ • 11Ni) + Ni = (Ni+ • 12Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
84.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 12nickel) + nickel = (Nickel ion (1+) • 13nickel)

By formula: (Ni+ • 12Ni) + Ni = (Ni+ • 13Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
71.5 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 13nickel) + nickel = (Nickel ion (1+) • 14nickel)

By formula: (Ni+ • 13Ni) + Ni = (Ni+ • 14Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
79.8 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 14nickel) + nickel = (Nickel ion (1+) • 15nickel)

By formula: (Ni+ • 14Ni) + Ni = (Ni+ • 15Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
80.8 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 15nickel) + nickel = (Nickel ion (1+) • 16nickel)

By formula: (Ni+ • 15Ni) + Ni = (Ni+ • 16Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
84.6 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 16nickel) + nickel = (Nickel ion (1+) • 17nickel)

By formula: (Ni+ • 16Ni) + Ni = (Ni+ • 17Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
81.5 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 9nickel) + nickel = (Nickel ion (1+) • 10nickel)

By formula: (Ni+ • 9Ni) + Ni = (Ni+ • 10Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
70.0 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 2nickel) + nickel = (Nickel ion (1+) • 3nickel)

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

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
47.6 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 3nickel) + nickel = (Nickel ion (1+) • 4nickel)

By formula: (Ni+ • 3Ni) + Ni = (Ni+ • 4Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
53.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 4nickel) + nickel = (Nickel ion (1+) • 5nickel)

By formula: (Ni+ • 4Ni) + Ni = (Ni+ • 5Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
65.7 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 5nickel) + nickel = (Nickel ion (1+) • 6nickel)

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

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
70.8 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 6nickel) + nickel = (Nickel ion (1+) • 7nickel)

By formula: (Ni+ • 6Ni) + Ni = (Ni+ • 7Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
63.4 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 7nickel) + nickel = (Nickel ion (1+) • 8nickel)

By formula: (Ni+ • 7Ni) + Ni = (Ni+ • 8Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
67.6 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • 8nickel) + nickel = (Nickel ion (1+) • 9nickel)

By formula: (Ni+ • 8Ni) + Ni = (Ni+ • 9Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
67.6 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Nickel ion (1+) • nickel) + nickel = (Nickel ion (1+) • 2nickel)

By formula: (Ni+ • Ni) + Ni = (Ni+ • 2Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
56.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Nickel ion (1+) + nickel = (Nickel ion (1+) • nickel)

By formula: Ni+ + Ni = (Ni+ • Ni)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
48.8 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(CAS Reg. No. 64899-92-9 • 4294967295nickel) + nickel = CAS Reg. No. 64899-92-9

By formula: (CAS Reg. No. 64899-92-9 • 4294967295Ni) + Ni = CAS Reg. No. 64899-92-9

Quantity Value Units Method Reference Comment
Δr45.79 ± 0.73kcal/molN/AMiller, Feigerle, et al., 1987gas phase; B

(CAS Reg. No. 71736-54-4 • 4294967295nickel) + nickel = CAS Reg. No. 71736-54-4

By formula: (CAS Reg. No. 71736-54-4 • 4294967295Ni) + Ni = CAS Reg. No. 71736-54-4

Quantity Value Units Method Reference Comment
Δr50.1 ± 5.1kcal/molN/AHo, Polak, et al., 1993gas phase; B

tetrakis(trifluorophosphine)nickel (l) = nickel (cr) + 4Phosphorus trifluoride (g)

By formula: F12NiP4 (l) = Ni (cr) + 4F3P (g)

Quantity Value Units Method Reference Comment
Δr46.4 ± 2.0kcal/molHAL-HFCBrown and Connor, 1974MS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

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

Sunderlin, Wang, et al., 1992
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]

McQuaid, Morris, et al., 1988
McQuaid, M.J.; Morris, K.; Gole, J.L., J. Am. Chem. Soc., 1988, 110, 5280. [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]

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]

Tolman, Reutter D.W., et al., 1976
Tolman, C.A.; Reutter D.W.; Seidel, W.C., J. Organometal. Chem., 1976, 117, C30. [all data]

Armentrout and Kickel, 1994
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]

Miller, Feigerle, et al., 1987
Miller, A.E.S.; Feigerle, C.S.; Lineberger, W.C., Laser photoelectron spectroscopy of CrH-, CoH-, and NiH-: Periodic trends in the electronic structure of the transition-metal hydrides, J. Chem. Phys., 1987, 86, 1549. [all data]

Ho, Polak, et al., 1993
Ho, J.; Polak, M.L.; Ervin, K.M.; Lineberger, W.C., Photoelectron Spectroscopy of Nickel Group Dimers - Ni2(-), Pd2(-), and Pt2(-), J. Chem. Phys., 1993, 99, 11, 8542, https://doi.org/10.1063/1.465577 . [all data]

Brown and Connor, 1974
Brown, D.L.S.; Connor, J.A., Skinner, H. A. J. Chem. Soc., Faraday Trans. I, 1974, 70, 1649. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References