| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-3412.50; -3412.50] | kJ/mol |
|
| ΔcH°liquid | -3412.50 ± 1.80 | kJ/mol | NIST |
| ΔcH°liquid | -3412.50 ± 1.80 | kJ/mol | NIST |
| ΔfH°gas | [63.50; 63.50] | kJ/mol |
|
| ΔfH°gas | 63.50 ± 3.10 | kJ/mol | NIST |
| ΔfH°gas | 63.50 ± 2.10 | kJ/mol | NIST |
| ΔfH°gas | 63.50 | kJ/mol | NIST |
| ΔfH°liquid | [15.80; 15.80] | kJ/mol |
|
| ΔfH°liquid | 15.80 ± 1.80 | kJ/mol | NIST |
| ΔfH°liquid | 15.80 ± 1.80 | kJ/mol | NIST |
| ΔfusH° | 13.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [47.70; 47.70] | kJ/mol |
|
| ΔvapH° | 47.70 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 47.70 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 47.70 | kJ/mol | NIST |
| IE | 8.97 | eV | NIST |
| logPoct/wat | 0.809 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Inp | [903.00; 903.00] |
|
|
| Inp | 903.00 | NIST | |
| Inp | 903.00 | NIST | |
| Tboil | 461.20 | K | NIST |
| Tfus | [192.10; 192.55] | K |
|
| Tfus | 192.55 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 192.10 ± 0.35 | K | NIST |
| Tfus | 192.55 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.44; 291.79] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.65200e+00 | |||
| Coefficient B | 5.37540e-01 | |||
| Coefficient C | -3.29800e-04 | |||
| Coefficient D | 7.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 157.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 182.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 204.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 224.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 242.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 257.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 270.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 281.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 291.79 | J/mol×K | 1000.00 | Calculated Property |
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