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
Δfgas123.59kJ/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
gas,1 bar232.59J/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 (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. to 1400.1400. to 3000.3000. to 6000.
A 33.08887-247.8309254.7052
B 15.89464258.9883-86.85356
C -21.61998-74.2354613.05132
D 10.846356.965901-0.689578
E -0.123820106.5113-287.7881
F 112.7768395.8616-317.4526
G 268.0601104.5720244.2067
H 123.5949123.5949123.5949
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

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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
Δfsolid-473.21kJ/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
solid56.54J/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 (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. to 3000.
A 48.60260
B 7.280161
C -1.933724
D 0.329739
E -0.289224
F -488.9966
G 111.6450
H -473.2104
ReferenceChase, 1998
Comment Data last reviewed in September, 1977

Constants of diatomic molecules

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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: 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
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
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 1Σ+ 15220.79 409.04 Z 0.818  0.16666 0.000605  0.000000109  2.3864 A ← X R 15194.44 Z
Blues and Barrow, 1969
X 1Σ+ 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 1Σ ground state. Good agreement with Marquart and Berkowitz, 1963.

References

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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 A1Σ+ - X1Σ+ 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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