nickel
- Formula: Ni
- Molecular weight: 58.6934
- IUPAC Standard InChIKey: PXHVJJICTQNCMI-UHFFFAOYSA-N
- CAS Registry Number: 7440-02-0
- Chemical structure:
This structure is also available as a 2d Mol file - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- NIST Atomic Spectra Database - Lines Holdings (on physics web site)
- NIST Atomic Spectra Database - Levels Holdings (on physics web site)
- NIST Atomic Spectra Database - Ground states and ionization energies (on physics web site)
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 102.80 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 43.544 | cal/mol*K | Review | Chase, 1998 | Data 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 |
Reference | Chase, 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 |
---|---|---|---|---|---|
ΔfH°liquid | 4.178 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 9.916 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 7.139 | cal/mol*K | Review | Chase, 1998 | Data 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 |
Reference | Chase, 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 | 3.272371 | 298.2899 | 3.943210 |
B | 19.71680 | -300.5521 | 4.481150 |
C | -41.81520 | 0.000000 | -1.586961 |
D | 38.62359 | 0.000000 | 0.410439 |
E | -0.022088 | -39.46621 | 0.447431 |
F | -1.633281 | -188.5340 | -0.111777 |
G | 6.613050 | 289.8879 | 12.35080 |
H | 0.000000 | 0.000000 | 0.000000 |
Reference | Chase, 1998 | Chase, 1998 | Chase, 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. | 5.97612 | 16808.435 | -188.717 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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
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
By formula: C4NiO4 (g) = 4CO (g) + Ni (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.34 ± 0.60 | kcal/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; MS |
CNiO (g) = (g) + (g)
By formula: CNiO (g) = CO (g) + Ni (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.6 ± 5.8 | kcal/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | MS |
ΔrH° | 25.8 | kcal/mol | N/A | McQuaid, Morris, et al., 1988 | Method: Chemiluminescence spectroscopy.; MS |
ΔrH° | 29. ± 15. | kcal/mol | N/A | Stevens, Feigerle, et al., 1982 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS |
By formula: 4CO (g) + Ni (cr) = C4NiO4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36.5 ± 1.0 | kcal/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; MS |
(solution) = 2 (solution) + (cr)
By formula: (Ni(C8H12)2) (solution) = 2C8H12 (solution) + Ni (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.0 ± 1.0 | kcal/mol | RSC | Tolman, Reutter D.W., et al., 1976 | solvent: Toluene; The toluene solution contained catalytic amounts of carbon tetrachloride.; MS |
By formula: (Ni+ • 10Ni) + Ni = (Ni+ • 11Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
80.1 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 11Ni) + Ni = (Ni+ • 12Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
84.1 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 12Ni) + Ni = (Ni+ • 13Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
71.5 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 13Ni) + Ni = (Ni+ • 14Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
79.8 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 14Ni) + Ni = (Ni+ • 15Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
80.8 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 15Ni) + Ni = (Ni+ • 16Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
84.6 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 16Ni) + Ni = (Ni+ • 17Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
81.5 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 9Ni) + Ni = (Ni+ • 10Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
70.0 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 2Ni) + Ni = (Ni+ • 3Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
47.6 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 3Ni) + Ni = (Ni+ • 4Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
53.2 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 4Ni) + Ni = (Ni+ • 5Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
65.7 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 5Ni) + Ni = (Ni+ • 6Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
70.8 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 6Ni) + Ni = (Ni+ • 7Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
63.4 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 7Ni) + Ni = (Ni+ • 8Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
67.6 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 8Ni) + Ni = (Ni+ • 9Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
67.6 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • Ni) + Ni = (Ni+ • 2Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
56.2 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Ni+ + Ni = (Ni+ • Ni)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
48.8 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
(CAS Reg. No. 64899-92-9 • 4294967295) + = 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 |
---|---|---|---|---|---|
ΔrH° | 45.79 ± 0.73 | kcal/mol | N/A | Miller, Feigerle, et al., 1987 | gas phase; B |
(CAS Reg. No. 71736-54-4 • 4294967295) + = 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 |
---|---|---|---|---|---|
ΔrH° | 50.1 ± 5.1 | kcal/mol | N/A | Ho, Polak, et al., 1993 | gas phase; B |
By formula: F12NiP4 (l) = Ni (cr) + 4F3P (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.4 ± 2.0 | kcal/mol | HAL-HFC | Brown and Connor, 1974 | MS |
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
- 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) S°solid Entropy of solid at standard conditions T Temperature 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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