| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-2308.40; -2288.20] | kJ/mol |
|
| ΔcH°liquid | -2308.40 ± 0.34 | kJ/mol | NIST |
| ΔcH°liquid | -2288.20 ± 0.42 | kJ/mol | NIST |
| ΔfH°gas | -197.40 ± 3.10 | kJ/mol | NIST |
| ΔfH°liquid | -266.04 ± 0.42 | kJ/mol | NIST |
| ΔfusH° | 8.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [68.70; 73.60] | kJ/mol |
|
| ΔvapH° | 73.60 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 68.70 ± 1.50 | kJ/mol | NIST |
| IE | [9.20; 9.53] | eV |
|
| IE | 9.20 | eV | NIST |
| IE | 9.32 ± 0.02 | eV | NIST |
| IE | 9.45 | eV | NIST |
| IE | 9.53 | eV | NIST |
| log10WS | [1.07; 1.07] |
|
|
| log10WS | 1.07 | Aq. Solubility Prediction | |
| log10WS | 1.07 | Estimated Solubility | |
| logPoct/wat | -0.104 | Crippen Calculated Property | |
| McVol | 67.910 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 2 | KDB | |
| Inp | [1045.00; 1078.00] |
|
|
| Inp | 1076.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1059.90 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1059.90 | NIST | |
| I | [1988.00; 2048.00] |
|
|
| I | 2002.00 | NIST | |
| I | 2029.00 | NIST | |
| I | 2020.00 | NIST | |
| I | 2048.00 | NIST | |
| I | 2037.00 | NIST | |
| I | 2002.00 | NIST | |
| I | 2017.00 | NIST | |
| I | 1988.00 | NIST | |
| I | 1988.00 | NIST | |
| I | 2002.00 | NIST | |
| S°liquid | 189.70 | J/mol×K | NIST |
| S°solid,1 bar | 136.80 | J/mol×K | NIST |
| Tboil | 518.20 | K | NIST |
| Tc | 789.10 | K | DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development |
| Tfus | [296.65; 298.72] | K |
|
| Tfus | 296.65 | K | Aq. Solubility Prediction |
| Tfus | 298.72 ± 0.10 | K | NIST |
| Tfus | 298.65 ± 0.50 | K | NIST |
| Ttriple | [299.08; 299.08] | K |
|
| Ttriple | 299.08 ± 0.01 | K | NIST |
| Ttriple | 299.08 ± 0.01 | K | NIST |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 406.20 | K | 1.60 | NIST |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [78.33; 232.68] | 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 | -1.38200e+01 | |||
| Coefficient B | 3.60300e-01 | |||
| Coefficient C | -7.20000e-05 | |||
| Coefficient D | -4.18000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 78.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 102.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 125.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 147.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 166.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 184.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 199.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 213.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 224.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 232.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [390.59; 548.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54130e+01 | |||
| Coefficient B | -4.81100e+03 | |||
| Coefficient C | -7.25160e+01 | |||
| Temperature range, min. | 390.59 | |||
| Temperature range, max. | 548.78 | |||
| Pvap | 1.33 | kPa | 390.59 | Calculated Property |
| Pvap | 2.94 | kPa | 408.17 | Calculated Property |
| Pvap | 6.01 | kPa | 425.74 | Calculated Property |
| Pvap | 11.46 | kPa | 443.32 | Calculated Property |
| Pvap | 20.61 | kPa | 460.90 | Calculated Property |
| Pvap | 35.23 | kPa | 478.47 | Calculated Property |
| Pvap | 57.62 | kPa | 496.05 | Calculated Property |
| Pvap | 90.60 | kPa | 513.63 | Calculated Property |
| Pvap | 137.60 | kPa | 531.20 | Calculated Property |
| Pvap | 202.64 | kPa | 548.78 | Calculated Property |
| Pvap | [2.74e-03; 6200.27] | kPa | [298.15; 792.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.41872e+01 | |||
| Coefficient B | -1.06834e+04 | |||
| Coefficient C | -9.56959e+00 | |||
| Coefficient D | 3.04035e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 298.15 | |||
| Temperature range, max. | 792.00 | |||
| Pvap | 2.74e-03 | kPa | 298.15 | Calculated Property |
| Pvap | 0.16 | kPa | 353.02 | Calculated Property |
| Pvap | 2.66 | kPa | 407.89 | Calculated Property |
| Pvap | 20.53 | kPa | 462.77 | Calculated Property |
| Pvap | 95.59 | kPa | 517.64 | Calculated Property |
| Pvap | 316.06 | kPa | 572.51 | Calculated Property |
| Pvap | 822.49 | kPa | 627.38 | Calculated Property |
| Pvap | 1804.45 | kPa | 682.26 | Calculated Property |
| Pvap | 3498.88 | kPa | 737.13 | Calculated Property |
| Pvap | 6200.27 | kPa | 792.00 | Calculated Property |
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