Calcium monochloride
- Formula: CaCl
- Molecular weight: 75.531
- IUPAC Standard InChI: InChI=1S/Ca.ClH/h;1H/q+1;/p-1
- IUPAC Standard InChIKey: WGPMOVAPQPJDDK-UHFFFAOYSA-M
- CAS Registry Number: 15606-71-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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°gas | -25.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 57.720 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1970 |
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. to 6000. |
|---|---|
| A | 9.195142 |
| B | -0.254556 |
| C | 0.117297 |
| D | -0.000804 |
| E | -0.057153 |
| F | -27.92371 |
| G | 68.59771 |
| H | -25.00000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1970 |
Gas phase ion energetics data
Go To: Top, Gas 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 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CaCl+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 5.86 ± 0.07 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 5.5 ± 0.3 | EI | Lau and Hildenbrand, 1990 | LL |
| 5.86 ± 0.07 | EVAL | Belyaev, Gotkis, et al., 1990 | LL |
| 5.61 ± 0.13 | CI | Meyer, Schulze, et al., 1984 | LBLHLM |
| 6.01 ± 0.10 | EI | Hildenbrand, 1970 | RDSH |
| 5.6 ± 0.5 | EI | Hildenbrand, 1970, 2 | RDSH |
| 5.5 ± 0.5 | EI | Zmbov, 1969 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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]
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]
Belyaev, Gotkis, et al., 1990
Belyaev, V.N.; Gotkis, I.S.; Lebedeva, N.L.; Krasnov, K.S.,
Ionization potentials of MX molecules (M = Ca, Sr, Ba; X = F, Cl, Br, I, OH, O),
Russ. J. Phys. Chem., 1990, 64, 773. [all data]
Meyer, Schulze, et al., 1984
Meyer, H.-J.; Schulze, T.; Ross, U.,
Molecular beam study of the chemi-ionization in the reactive scattering of Ca and Sr with Cl2 and Br2 at collision energies C(c.m.)<4.5 eV,
Chem. Phys., 1984, 90, 185. [all data]
Hildenbrand, 1970
Hildenbrand, D.L.,
Electron impact studies of the IIA metal chlorides,
Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 75. [all data]
Hildenbrand, 1970, 2
Hildenbrand, D.L.,
Dissociation energies and chemical bonding in the alkaline-earth chlorides from mass spectrometric studies,
J. Chem. Phys., 1970, 52, 5751. [all data]
Zmbov, 1969
Zmbov, K.F.,
Mass spectrometric determination of the dissociation energies of calcium and barium chlorides,
Chem. Phys. Lett., 1969, 4, 191. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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