# calcium sulphide

**Formula:**CaS**Molecular weight:**72.143**IUPAC Standard InChI:**- InChI=1S/Ca.S
- Download the identifier in a file.

**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-
**Permanent link**for this species. Use this link for bookmarking this species for future reference. **Information on this page:****Options:**

## Gas phase thermochemistry data

**Go To:** Top, Condensed 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 |
---|---|---|---|---|---|

_{f}H°_{gas} | 29.539 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |

Quantity | Value | Units | Method | Reference | Comment |

S°_{gas,1 bar} | 55.590 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1977 |

### Gas Phase Heat Capacity (Shomate Equation)

C_{p}° = A + B*t + C*t^{2} + D*t^{3} +
E/t^{2}

H° − H°_{298.15}= A*t + B*t^{2}/2 +
C*t^{3}/3 + D*t^{4}/4 − E/t + F − H

S° = A*ln(t) + B*t + C*t^{2}/2 + D*t^{3}/3 −
E/(2*t^{2}) + G

C_{p} = heat capacity (cal/mol*K)

H° = standard enthalpy (kcal/mol)

S° = standard entropy (cal/mol*K)

t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) | 298. - 1400. | 1400. - 3000. | 3000. - 6000. |
---|---|---|---|

A | 7.908430 | -59.23301 | 60.87600 |

B | 3.798911 | 61.89969 | -20.75850 |

C | -5.167300 | -17.74270 | 3.119341 |

D | 2.592340 | 1.664891 | -0.164813 |

E | -0.029594 | 25.45681 | -68.78301 |

F | 26.95430 | 94.61319 | -75.87299 |

G | 64.06790 | 24.99331 | 58.36680 |

H | 29.53989 | 29.53989 | 29.53989 |

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 |
---|---|---|---|---|---|

_{f}H°_{solid} | -113.10 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1977 |

Quantity | Value | Units | Method | Reference | Comment |

S°_{solid} | 13.51 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1977 |

### Solid Phase Heat Capacity (Shomate Equation)

C_{p}° = A + B*t + C*t^{2} + D*t^{3} +
E/t^{2}

H° − H°_{298.15}= A*t + B*t^{2}/2 +
C*t^{3}/3 + D*t^{4}/4 − E/t + F − H

S° = A*ln(t) + B*t + C*t^{2}/2 + D*t^{3}/3 −
E/(2*t^{2}) + G

C_{p} = heat capacity (cal/mol*K)

H° = standard enthalpy (kcal/mol)

S° = standard entropy (cal/mol*K)

t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

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 |

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 |

T_{e} | minimum electronic energy (cm^{-1}) |

ω_{e} | vibrational constant – first term (cm^{-1}) |

ω_{e}x_{e} | vibrational constant – second term (cm^{-1}) |

ω_{e}y_{e} | vibrational constant – third term (cm^{-1}) |

B_{e} | rotational constant in equilibrium position (cm^{-1}) |

α_{e} | rotational constant – first term (cm^{-1}) |

γ_{e} | rotation-vibration interaction constant (cm^{-1}) |

D_{e} | centrifugal distortion constant (cm^{-1}) |

β_{e} | rotational constant – first term, centrifugal force (cm^{-1}) |

r_{e} | internuclear distance (Å) |

Trans. | observed transition(s) corresponding to electronic state |

ν_{00} | position of 0-0 band (units noted in table) |

State | T_{e} | _{e} | _{e}x_{e} | _{e}y_{e} | B_{e} | _{e} | _{e} | D_{e} | _{e} | r_{e} | Trans. | _{00} |
---|---|---|---|---|---|---|---|---|---|---|---|---|

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 ^{1}^{+} | 15220.79 | 409.04 Z | 0.818 | 0.16666 | 0.00060_{5} | 0.000000109 | 2.3864 | A X R | 15194.44 Z | |||

↳Blues and Barrow, 1969 | ||||||||||||

X ^{1}^{+} | 0 | 462.23 Z | 1.78 | 0.17667 | 0.00083_{7} | 0.000000102 | 2.3178 |

### Notes

1 | Thermochemical value (mass-spectrom.) Colin, Goldfinger, et al., 1964, corrected for a ^{1} 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

**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 A ^{1}«SIGMA»^{+} - X^{1}«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 S _{2} 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 _{f}H°_{gas}Enthalpy of formation of gas at standard conditions _{f}H°_{solid}Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69:
*NIST Chemistry WebBook* - The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.