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, Gas phase ion energetics 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. |
Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to Ni+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.6398 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 176. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 170.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.160 ± 0.050 | LPES | Liu, Zhai, et al., 2002 | B |
1.15717 ± 0.00013 | N/A | Scheer, Brodie, et al., 1998 | B |
1.157 ± 0.010 | LPES | Corderman, Engelking, et al., 1979 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.6398 | EVAL | Lide, 1992 | LL |
7.6398 | LS | Page and Gudeman, 1990 | LL |
7.638 | S | Kelly, 1987 | LBLHLM |
7.6374 ± 0.0012 | S | Sugar and Corliss, 1985 | LBLHLM |
7.61 | PE | Dyke, Gravenor, et al., 1982 | LBLHLM |
7.6 ± 0.2 | EI | Clements and Sale, 1976 | LLK |
7.635 | S | Moore, 1970 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Liu, Zhai, et al., 2002
Liu, S.R.; Zhai, H.J.; Wang, L.S.,
Evolution of the electronic properties of small Ni-n(-) (n=1- 100) clusters by photoelectron spectroscopy,
J. Chem. Phys., 2002, 117, 21, 9758-9765, https://doi.org/10.1063/1.1519008
. [all data]
Scheer, Brodie, et al., 1998
Scheer, M.; Brodie, C.A.; Bilodeau, R.C.; Haugen, H.K.,
Laser spectroscopic measurements of binding energies and fine-structure splittings of Co-, Ni-, Rh-, and Pd-,
Phys. Rev. A, 1998, 58, 3, 2051-2062, https://doi.org/10.1103/PhysRevA.58.2051
. [all data]
Corderman, Engelking, et al., 1979
Corderman, R.R.; Engelking, P.C.; Lineberger, W.C.,
Laser photoelectron spectrometry of Co- and Ni-,
J. Chem. Phys., 1979, 70, 4474. [all data]
Lide, 1992
Lide, D.R. (Editor),
Ionization potentials of atoms and atomic ions
in Handbook of Chem. and Phys., 1992, 10-211. [all data]
Page and Gudeman, 1990
Page, R.H.; Gudeman, C.S.,
Completing the iron period: Double-resonance, fluorescence-dip rydberg spectroscopy and ionization potentials of titanium, vanadium, iron, cobalt, and nickel,
J. Opt. Soc. Am. B, 1990, 1761. [all data]
Kelly, 1987
Kelly, R.L.,
Atomic and ionic spectrum lines of hydrogen through kryton,
J. Phys. Chem. Ref. Data, 1987, 16. [all data]
Sugar and Corliss, 1985
Sugar, J.; Corliss, C.,
Atomic energy levels of the iron period elements: Potassium through nickel,
J. Phys. Chem. Ref. Data, 1985, 14. [all data]
Dyke, Gravenor, et al., 1982
Dyke, J.M.; Gravenor, B.W.J.; Lewis, R.A.; Morris, A.,
Gas-phase high temperature photoelectron spectroscopy: An investigation of the transition metals iron, cobalt, and nickel,
J. Phys. B:, 1982, 15, 4523. [all data]
Clements and Sale, 1976
Clements, P.J.; Sale, F.R.,
A mass spectrometric study of nickel tetracarbonyl, iron pentacarbonyl and binary mixtures of these compounds,
Metall. Trans. B:, 1976, 7, 171. [all data]
Moore, 1970
Moore, C.E.,
Ionization potentials and ionization limits derived from the analyses of optical spectra,
Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy 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 ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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