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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.

Quantity Value Units Method Reference Comment
Deltafgas430.12kJ/molReviewChase, 1998Data last reviewed in December, 1976
Quantity Value Units Method Reference Comment
gas,1 bar182.19J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 3156.584 - 6000.
A 27.13127
B -2.587562
C 0.295110
D 0.015200
E 0.041830
F 421.4585
G 214.1643
H 430.1152
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
Deltafliquid17.48kJ/molReviewChase, 1998Data last reviewed in December, 1976
Quantity Value Units Method Reference Comment
liquid,1 bar41.49J/mol*KReviewChase, 1998Data last reviewed in December, 1976
Quantity Value Units Method Reference Comment
solid29.87J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 1728. - 3156.584
A 38.91103
B 0.000000
C 0.000000
D 0.000000
E 0.000000
F -2.722630
G 74.47143
H 17.47904
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 (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. - 600.600. - 700.700. - 1728.
A 13.691601248.04516.49839
B 82.49509-1257.51018.74913
C -174.95480.000000-6.639841
D 161.60110.0000001.717278
E -0.092417-165.12661.872051
F -6.833644-788.8263-0.467675
G 27.669001212.89151.67575
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 (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
2083. - 3005.5.9818316808.435-188.717Stull, 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
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; MS

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

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

Quantity Value Units Method Reference Comment
Deltar170. ± 24.kJ/molFA-SIFTSunderlin, Wang, et al., 1992MS
Deltar108.kJ/molN/AMcQuaid, Morris, et al., 1988Method: Chemiluminescence spectroscopy.; MS
Deltar121. ± 63.kJ/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
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; 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
Deltar-12.6 ± 4.2kJ/molRSCTolman, Reutter D.W., et al., 1976solvent: Toluene; The toluene solution contained catalytic amounts of carbon tetrachloride.; MS

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
335. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
352. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
299. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
334. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
338. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
354. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
341. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
293. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
199. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
223. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
275. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
296. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
265. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
283. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
283. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
235. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Ni+ + Ni = (Ni+ bullet Ni)

Enthalpy of reaction

DeltarH° (kJ/mol) T (K) Method Reference Comment
204. CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Quantity Value Units Method Reference Comment
Deltar191.6 ± 3.1kJ/molN/AMiller, Feigerle, et al., 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar210. ± 21.kJ/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
Deltar194.2 ± 8.4kJ/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