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calcium sulphide


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
Deltafgas29.539kcal/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
gas,1 bar55.590cal/mol*KReviewChase, 1998Data last reviewed in September, 1977

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) 298. - 1400.1400. - 3000.3000. - 6000.
A 7.908430-59.2330160.87600
B 3.79891161.89969-20.75850
C -5.167300-17.742703.119341
D 2.5923401.664891-0.164813
E -0.02959425.45681-68.78301
F 26.9543094.61319-75.87299
G 64.0679024.9933158.36680
H 29.5398929.5398929.53989
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment Data last reviewed in September, 1977 Data last reviewed in September, 1977 Data last reviewed in September, 1977

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, 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
Deltafsolid-113.10kcal/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
solid13.51cal/mol*KReviewChase, 1998Data last reviewed in September, 1977

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. - 3000.
A 11.61630
B 1.740001
C -0.462171
D 0.078810
E -0.069126
F -116.8730
G 26.68380
H -113.1000
ReferenceChase, 1998
Comment Data last reviewed in September, 1977

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through July, 1976

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 40Ca32S
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Continuous absorption from 41860 cm-1 to higher wavenumbers, observed and ascribed to CaS by Mathur, 1937, but questioned by Blues and Barrow, 1969.
A 1Sigma+ 15220.79 409.04 Z 0.818  0.16666 0.000605  0.000000109  2.3864 A larrow X R 15194.44 Z
Blues and Barrow, 1969
X 1Sigma+ 0 462.23 Z 1.78  0.17667 0.000837  0.000000102  2.3178  

Notes

1Thermochemical value (mass-spectrom.) Colin, Goldfinger, et al., 1964, corrected for a 1Sigma ground state. Good agreement with Marquart and Berkowitz, 1963.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Constants of diatomic molecules, 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]

Mathur, 1937
Mathur, L.S., The absorption spectra of the monosulphides of alkaline earth elements and their latent heats of vaporization, Proc. R. Soc. London A, 1937, 162, 83. [all data]

Blues and Barrow, 1969
Blues, R.C.; Barrow, R.F., Rotational analysis of bands of a system A1«SIGMA»+ - X1«SIGMA»+ of gaseous CaS, Trans. Faraday Soc., 1969, 65, 646. [all data]

Colin, Goldfinger, et al., 1964
Colin, R.; Goldfinger, P.; Jeunehomme, M., Mass-spectrometric studies of vaporization of the sulphides of calcium, strontium and barium. The dissociation energy of S2 and SO, Trans. Faraday Soc., 1964, 60, 306. [all data]

Marquart and Berkowitz, 1963
Marquart, J.R.; Berkowitz, J., Dissociation energies of some metal sulfides, J. Chem. Phys., 1963, 39, 283. [all data]


Notes

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