- InChI
- InChI=1S/Ca
- InChI Key
- OYPRJOBELJOOCE-UHFFFAOYSA-N
- Formula
- Ca
- SMILES
- [Ca]
- Molecular Weight1
- 40.08
- CAS
- 7440-70-2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- Pvap : Vapor pressure (kPa).
- S°gas,1 bar : Molar entropy at standard conditions (1 bar) (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| EA | [0.02; 0.04] | eV |
|
| EA | 0.02 ± 0.00 | eV | NIST |
| EA | 0.02 ± 0.00 | eV | NIST |
| EA | 0.02 ± 0.00 | eV | NIST |
| EA | 0.04 ± 0.01 | eV | NIST |
| ΔfH°gas | 177.80 ± 0.80 | kJ/mol | NIST |
| IE | [6.00; 6.21] | eV |
|
| IE | 6.11 ± 0.00 | eV | NIST |
| IE | 6.11 | eV | NIST |
| IE | 6.00 ± 0.30 | eV | NIST |
| IE | 6.11 | eV | NIST |
| IE | 6.11 ± 0.00 | eV | NIST |
| IE | 6.08 ± 0.06 | eV | NIST |
| IE | 6.00 ± 0.30 | eV | NIST |
| IE | 6.06 ± 0.05 | eV | NIST |
| IE | 6.11 ± 0.00 | eV | NIST |
| IE | 6.10 | eV | NIST |
| IE | 6.11 | eV | NIST |
| IE | 6.11 | eV | NIST |
| IE | Outlier 6.21 ± 0.09 | eV | NIST |
| S°gas,1 bar | 154.89 ± 0.00 | J/mol×K | NIST |
| S°solid,1 bar | 41.59 ± 0.40 | J/mol×K | NIST |
| Tboil | 1757.00 ± 2.00 | K | NIST |
| Ttriple | 1112.90 ± 2.00 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [20.60; 57.66] | J/mol×K | [1774.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.21547e+02 | |||
| Coefficient B | -7.49539e+01 | |||
| Coefficient C | 1.91723e+01 | |||
| Coefficient D | -1.40082e+00 | |||
| Coefficient E | -6.45134e+01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=42.23540, G=217.4470, H=177.8000; Data last reviewed in September, 1983 | |||
| Temperature range, min. | 1774.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 20.60 | J/mol×K | 1774.00 | Calculated Property |
| Cp,gas | 21.25 | J/mol×K | 2243.56 | Calculated Property |
| Cp,gas | 22.58 | J/mol×K | 2713.11 | Calculated Property |
| Cp,gas | 25.67 | J/mol×K | 3182.67 | Calculated Property |
| Cp,gas | 30.45 | J/mol×K | 3652.22 | Calculated Property |
| Cp,gas | 36.43 | J/mol×K | 4121.78 | Calculated Property |
| Cp,gas | 42.93 | J/mol×K | 4591.33 | Calculated Property |
| Cp,gas | 49.17 | J/mol×K | 5060.89 | Calculated Property |
| Cp,gas | 54.36 | J/mol×K | 5530.44 | Calculated Property |
| Cp,gas | 57.66 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [35.00; 35.00] | J/mol×K | [1115.00; 1773.66] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 3.50000e+01 | |||
| Coefficient B | 1.11960e-10 | |||
| Coefficient C | -8.29298e-11 | |||
| Coefficient D | 1.87888e-11 | |||
| Coefficient E | 1.91257e-12 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-2.646946, G=87.86609, H=7.788015; Data last reviewed in September, 1983 | |||
| Temperature range, min. | 1115.00 | |||
| Temperature range, max. | 1773.66 | |||
| Cp,liquid | 35.00 | J/mol×K | 1115.00 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1188.18 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1261.37 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1334.55 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1407.74 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1480.92 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1554.11 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1627.29 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1700.47 | Calculated Property |
| Cp,liquid | 35.00 | J/mol×K | 1773.66 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [25.93; 41.23] | J/mol×K | [298.00; 1100.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K | |||
| Coefficient A | 1.97752e+01 | |||
| Coefficient B | 1.01081e+01 | |||
| Coefficient C | 1.45034e+01 | |||
| Coefficient D | -5.52949e+00 | |||
| Coefficient E | 1.78031e-01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-5.862997, G=62.91606, H=0.000000; «alpha» phase; Data last reviewed in September, 1983 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1100.00 | |||
| Cp,solid | 25.93 | J/mol×K | 298.00 | Calculated Property |
| Cp,solid | 26.73 | J/mol×K | 387.11 | Calculated Property |
| Cp,solid | 28.07 | J/mol×K | 476.22 | Calculated Property |
| Cp,solid | 29.68 | J/mol×K | 565.33 | Calculated Property |
| Cp,solid | 31.47 | J/mol×K | 654.44 | Calculated Property |
| Cp,solid | 33.36 | J/mol×K | 743.56 | Calculated Property |
| Cp,solid | 35.31 | J/mol×K | 832.67 | Calculated Property |
| Cp,solid | 37.29 | J/mol×K | 921.78 | Calculated Property |
| Cp,solid | 39.28 | J/mol×K | 1010.89 | Calculated Property |
| Cp,solid | 41.23 | J/mol×K | 1100.00 | Calculated Property |
| Cp,solid | [25.97; 31.38] | J/mol×K | [298.00; 716.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K | |||
| Coefficient A | 1.11174e+01 | |||
| Coefficient B | 3.85236e+01 | |||
| Coefficient C | -8.89142e+00 | |||
| Coefficient D | -9.61830e+00 | |||
| Coefficient E | 3.91850e-01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-2.563503, G=47.71852, H=1.056001; «beta» phase; Data last reviewed in September, 1983 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 716.00 | |||
| Cp,solid | 25.97 | J/mol×K | 298.00 | Calculated Property |
| Cp,solid | 26.24 | J/mol×K | 344.44 | Calculated Property |
| Cp,solid | 26.81 | J/mol×K | 390.89 | Calculated Property |
| Cp,solid | 27.51 | J/mol×K | 437.33 | Calculated Property |
| Cp,solid | 28.26 | J/mol×K | 483.78 | Calculated Property |
| Cp,solid | 29.00 | J/mol×K | 530.22 | Calculated Property |
| Cp,solid | 29.71 | J/mol×K | 576.67 | Calculated Property |
| Cp,solid | 30.35 | J/mol×K | 623.11 | Calculated Property |
| Cp,solid | 30.91 | J/mol×K | 669.56 | Calculated Property |
| Cp,solid | 31.38 | J/mol×K | 716.00 | Calculated Property |
| Cp,solid | [31.52; 43.22] | J/mol×K | [716.00; 1115.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,solid in J/mol×K, T in K | |||
| Coefficient A | -4.06379e+01 | |||
| Coefficient B | 1.26776e+02 | |||
| Coefficient C | -6.97389e+01 | |||
| Coefficient D | 1.79316e+01 | |||
| Coefficient E | 5.40949e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=24.49192, G=-15.67297, H=1.056001; «beta» phase; Data last reviewed in September, 1983 | |||
| Temperature range, min. | 716.00 | |||
| Temperature range, max. | 1115.00 | |||
| Cp,solid | 31.52 | J/mol×K | 716.00 | Calculated Property |
| Cp,solid | 32.68 | J/mol×K | 760.33 | Calculated Property |
| Cp,solid | 33.92 | J/mol×K | 804.67 | Calculated Property |
| Cp,solid | 35.21 | J/mol×K | 849.00 | Calculated Property |
| Cp,solid | 36.52 | J/mol×K | 893.33 | Calculated Property |
| Cp,solid | 37.86 | J/mol×K | 937.67 | Calculated Property |
| Cp,solid | 39.20 | J/mol×K | 982.00 | Calculated Property |
| Cp,solid | 40.54 | J/mol×K | 1026.33 | Calculated Property |
| Cp,solid | 41.88 | J/mol×K | 1070.67 | Calculated Property |
| Cp,solid | 43.22 | J/mol×K | 1115.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00e-03; 99.99] | kPa | [864.15; 1755.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43468e+01 | |||
| Coefficient B | -1.60244e+04 | |||
| Coefficient C | -1.10230e+02 | |||
| Temperature range, min. | 864.15 | |||
| Temperature range, max. | 1755.15 | |||
| Pvap | 1.00e-03 | kPa | 864.15 | Calculated Property |
| Pvap | 0.01 | kPa | 963.15 | Calculated Property |
| Pvap | 0.08 | kPa | 1062.15 | Calculated Property |
| Pvap | 0.41 | kPa | 1161.15 | Calculated Property |
| Pvap | 1.51 | kPa | 1260.15 | Calculated Property |
| Pvap | 4.55 | kPa | 1359.15 | Calculated Property |
| Pvap | 11.69 | kPa | 1458.15 | Calculated Property |
| Pvap | 26.36 | kPa | 1557.15 | Calculated Property |
| Pvap | 53.58 | kPa | 1656.15 | Calculated Property |
| Pvap | 99.99 | kPa | 1755.15 | Calculated Property |
| Pvap | [1.12; 98.02] | kPa | [1254.00; 1712.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.10172e+01 | |||
| Coefficient B | -7.18722e+03 | |||
| Coefficient C | -5.94591e+02 | |||
| Reference | Hartmann and Schneider, 1929 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 1254.00 | |||
| Temperature range, max. | 1712.00 | |||
| Pvap | 1.12 | kPa | 1254.00 | Calculated Property |
| Pvap | 2.46 | kPa | 1304.89 | Calculated Property |
| Pvap | 4.83 | kPa | 1355.78 | Calculated Property |
| Pvap | 8.73 | kPa | 1406.67 | Calculated Property |
| Pvap | 14.71 | kPa | 1457.56 | Calculated Property |
| Pvap | 23.39 | kPa | 1508.44 | Calculated Property |
| Pvap | 35.42 | kPa | 1559.33 | Calculated Property |
| Pvap | 51.45 | kPa | 1610.22 | Calculated Property |
| Pvap | 72.12 | kPa | 1661.11 | Calculated Property |
| Pvap | 98.02 | kPa | 1712.00 | Calculated Property |
Mixtures
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Standard molar enthalpies of formation of hydroxy-, chlor-, and bromapatite
- Calorimetric studies and thermodynamic properties of liquid Ag-Ca alloys
- Standard enthalpy, entropy and Gibbs free energy of formation of "A" type carbonate phosphocalcium hydroxyapatites
- Thermochemical properties of two mixed alkali-alkaline earth metal borates with NLO properties for NaCaBO3 and Li4CaB2O6
- Thermodynamic stability of Ca3TeO6 determined by a solid electrolyte EMF method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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