calcium sulphide
- Formula: CaS
- Molecular weight: 72.143
- IUPAC Standard InChI: InChI=1S/Ca.S
- IUPAC Standard InChIKey: JGIATAMCQXIDNZ-UHFFFAOYSA-N
- CAS Registry Number: 20548-54-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Calcium sulfide
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 123.59 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 232.59 | J/mol*K | Review | Chase, 1998 | Data 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 | -247.8309 | 254.7052 |
| B | 15.89464 | 258.9883 | -86.85356 |
| C | -21.61998 | -74.23546 | 13.05132 |
| D | 10.84635 | 6.965901 | -0.689578 |
| E | -0.123820 | 106.5113 | -287.7881 |
| F | 112.7768 | 395.8616 | -317.4526 |
| G | 268.0601 | 104.5720 | 244.2067 |
| H | 123.5949 | 123.5949 | 123.5949 |
| Reference | Chase, 1998 | Chase, 1998 | Chase, 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 |
|---|---|---|---|---|---|
| ΔfH°solid | -473.21 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 56.54 | J/mol*K | Review | Chase, 1998 | Data 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 |
| Reference | Chase, 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
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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
| 1 | Thermochemical value (mass-spectrom.) Colin, Goldfinger, et al., 1964, corrected for a 1Σ 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 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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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