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calcium

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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
Deltafgas177.8 ± 0.8kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas177.80kJ/molReviewChase, 1998Data last reviewed in September, 1983
Quantity Value Units Method Reference Comment
gas,1 bar154.887 ± 0.004J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar154.89J/mol*KReviewChase, 1998Data last reviewed in September, 1983

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) 1774. - 6000.
A 121.5470
B -74.95390
C 19.17230
D -1.400821
E -64.51340
F 42.23540
G 217.4470
H 177.8000
ReferenceChase, 1998
Comment Data last reviewed in September, 1983

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
Deltafliquid7.79kJ/molReviewChase, 1998Data last reviewed in September, 1983
Quantity Value Units Method Reference Comment
liquid,1 bar45.51J/mol*KReviewChase, 1998Data last reviewed in September, 1983
Quantity Value Units Method Reference Comment
solid,1 bar41.59 ± 0.40J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value

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) 1115. - 1773.658
A 35.00004
B 1.119602×10-10
C -8.292981×10-11
D 1.878880×10-11
E 1.912569×10-12
F -2.646946
G 87.86609
H 7.788015
ReferenceChase, 1998
Comment Data last reviewed in September, 1983

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. - 1100.298. - 716.716. - 1115.
A 19.7751711.11735-40.63785
B 10.1081338.52364126.7765
C 14.50338-8.891419-69.73891
D -5.529491-9.61830517.93162
E 0.1780310.3918505.409494
F -5.862997-2.56350324.49192
G 62.9160647.71852-15.67297
H 0.0000001.0560011.056001
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment «alpha» phase; Data last reviewed in September, 1983 «beta» phase; Data last reviewed in September, 1983 «beta» phase; Data last reviewed in September, 1983

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.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tboil1757.KN/AHonig and Kramer, 1969Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Ttriple1112.9KN/AHonig and Kramer, 1969Uncertainty assigned by TRC = 2. K; TRC

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
1254. - 1712.2.784733121.368-594.591Hartmann and Schneider, 1929Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 by: 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

(CAS Reg. No. 56977-48-1 bullet 4294967295calcium) + calcium = CAS Reg. No. 56977-48-1

By formula: (CAS Reg. No. 56977-48-1 bullet 4294967295Ca) + Ca = CAS Reg. No. 56977-48-1

Quantity Value Units Method Reference Comment
Deltar183. ± 6.3kJ/molN/ARackwitz, Feldman, et al., 1977gas phase

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:
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 Ca+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)6.11316 ± 0.00002eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.024546 ± 0.000087LPESPetrunin, Andersen, et al., 1996B
0.0184 ± 0.0025LPDWalter and Peterson, 1992B
0.0175 ± 0.0030EFDNadeau, Zhao, et al., 1992B
0.0430 ± 0.0070LPDPegg, Thompson, et al., 1987B

Ionization energy determinations

IE (eV) Method Reference Comment
6.11316EVALLide, 1992LL
6.0 ± 0.3EILau and Hildenbrand, 1990LL
6.11316SKelly, 1987LBLHLM
6.11316 ± 0.00002SSugar and Corliss, 1985LBLHLM
6.08 ± 0.06EIRauh and Ackermann, 1979LLK
6.0 ± 0.3EIKleinschmidt and Hildenbrand, 1978LLK
6.06 ± 0.05EIRauh and Ackermann, 1974LLK
6.11316 ± 0.00002SBrown, Tilford, et al., 1973LLK
~6.1EIOkudaira, 1970RDSH
6.113SMoore, 1970RDSH
6.11313SRisberg, 1968RDSH
6.21 ± 0.09SIZinkiewicz, 1553RDSH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Honig and Kramer, 1969
Honig, R.E.; Kramer, D.A., Vapor pressure data for the solid and liquid elements, RCA Rev., 1969, 1969, 285. [all data]

Hartmann and Schneider, 1929
Hartmann, H.; Schneider, R., Die Siedetemperaturen von Magnesium, Calcium, Strontium, Barium and Lithium, Z. Anorg. Allg. Chem., 1929, 180, 1, 275-283, https://doi.org/10.1002/zaac.19291800129 . [all data]

Rackwitz, Feldman, et al., 1977
Rackwitz, R.; Feldman, D.; Kaiser, H.J.; Heincke, E., Photodetachment bei einigen zweiatomigen negativen hydridionen: BeH-, MgH-, CaH-, ZnH-, PH-, AsH-, Z. Naturforsch. A:, 1977, 32, 594. [all data]

Petrunin, Andersen, et al., 1996
Petrunin, V.V.; Andersen, H.H.; Balling, P.; Andersen, T., Structural Properties of the Negative Calcium Ion: Binding Energies and Fine-structure Splitting, Phys. Rev. Lett., 1996, 76, 5, 744, https://doi.org/10.1103/PhysRevLett.76.744 . [all data]

Walter and Peterson, 1992
Walter, C.W.; Peterson, J.R., Shape Resonance in Ca- Photodetachment and the Electron Affinity of Ca(1S), Phys. Rev. Lett., 1992, 68, 15, 2281, https://doi.org/10.1103/PhysRevLett.68.2281 . [all data]

Nadeau, Zhao, et al., 1992
Nadeau, M.J.; Zhao, X.L.; Garwan, M.A.; Litherland, A.E., Ca Negative-Ion Binding Energy, Phys. Rev. A, 1992, 46, 7, R3588, https://doi.org/10.1103/PhysRevA.46.R3588 . [all data]

Pegg, Thompson, et al., 1987
Pegg, D.J.; Thompson, J.S.; Compton, R.N.; Alton, G.D., Evidence for a Stable Negative Ion of Calcium, Phys. Rev. Lett., 1987, 59, 20, 2267, https://doi.org/10.1103/PhysRevLett.59.2267 . [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]

Lau and Hildenbrand, 1990
Lau, K.H.; Hildenbrand, D.L., High-temperature equilibrium studies of the gaseous thorium chlorides, J. Chem. Phys., 1990, 92, 6124. [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]

Rauh and Ackermann, 1979
Rauh, E.G.; Ackermann, R.J., The first ionization potentials of the transition metals, J. Chem. Phys., 1979, 70, 1004. [all data]

Kleinschmidt and Hildenbrand, 1978
Kleinschmidt, P.D.; Hildenbrand, D.L., Dissociation energies of CaI, SrI, and BaI from high temperature mass spectrometry, J. Chem. Phys., 1978, 68, 2819. [all data]

Rauh and Ackermann, 1974
Rauh, E.G.; Ackermann, R.J., First ionization potentials of some refractory oxide vapors, J. Chem. Phys., 1974, 60, 1396. [all data]

Brown, Tilford, et al., 1973
Brown, C.M.; Tilford, S.G.; Ginter, M.L., Absorption spectrum of Ca I in the 1580-2090A region, J. Opt. Soc. Am., 1973, 63, 1454. [all data]

Okudaira, 1970
Okudaira, S., Multiple ionization of Ca, Sr and Ba by electron impact, J. Phys. Soc. Jpn., 1970, 29, 409. [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]

Risberg, 1968
Risberg, G., The spectrum of atomic calcium, Ca I, and extensions to the analysis of Ca II, Ark. Fys., 1968, 37, 231. [all data]

Zinkiewicz, 1553
Zinkiewicz, J.M., Determination of the ionization potential of Ca and Mg atoms by the surface ionization method using a mass spectrometer, Proc. Colloq. Spectros. Intern., 14th Debrecen, Hung., 1967,, 1553, 3. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, References