| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.5782; 0.5800] |
|
|
| ω | 0.5782 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.5800 | KDB | |
| PAff | 968.50 | kJ/mol | NIST |
| BasG | 935.30 | kJ/mol | NIST |
| ΔcH°liquid | [-5657.44; -5651.20] | kJ/mol |
|
| ΔcH°liquid | -5651.20 ± 2.20 | kJ/mol | NIST |
| ΔcH°liquid | -5657.44 ± 0.42 | kJ/mol | NIST |
| μ | 1.10 | debye | KDB |
| ΔfG° | 105.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-171.10; -164.90] | kJ/mol |
|
| ΔfH°gas | -171.10 ± 3.20 | kJ/mol | NIST |
| ΔfH°gas | -164.90 | kJ/mol | NIST |
| ΔfH°liquid | [-212.30; -206.10] | kJ/mol |
|
| ΔfH°liquid | -212.30 ± 2.50 | kJ/mol | NIST |
| ΔfH°liquid | -206.10 ± 0.40 | kJ/mol | NIST |
| ΔfusH° | 21.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.20; 49.47] | kJ/mol |
|
| ΔvapH° | 49.47 | kJ/mol | NIST |
| ΔvapH° | 41.20 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 41.20 | kJ/mol | NIST |
| ΔvapH° | 48.10 | kJ/mol | NIST |
| ΔvapH° | 45.70 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 49.40 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 49.44 ± 0.08 | kJ/mol | NIST |
| IE | 7.69 ± 0.03 | eV | NIST |
| log10WS | -1.44 | Aq. Solubility Prediction | |
| logPoct/wat | 2.176 | Crippen Calculated Property | |
| McVol | 133.560 | ml/mol | McGowan Calculated Property |
| Pc | [3110.00; 3110.00] | kPa |
|
| Pc | 3110.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Pc | 3110.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3110.00 | kPa | KDB |
| Pc | 3110.00 ± 31.07 | kPa | NIST |
| Inp | [943.00; 952.00] |
|
|
| Inp | 943.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 951.00 | NIST | |
| Ip | [1090.00; 1106.00] |
|
|
| Ip | 1106.00 | NIST | |
| Ip | 1106.00 | NIST | |
| Ip | 1100.00 | NIST | |
| Ip | 1095.00 | NIST | |
| Ip | 1103.00 | NIST | |
| Ip | 1090.00 | NIST | |
| Ip | 1092.00 | NIST | |
| Tboil | [394.15; 434.65] | K |
|
| Tboil | 432.70 | K | KDB |
| Tboil | 432.20 | K | NIST |
| Tboil | 432.80 | K | NIST |
| Tboil | 432.75 | K | NIST |
| Tboil | 431.70 ± 0.50 | K | NIST |
| Tboil | 432.65 ± 2.00 | K | NIST |
| Tboil | 433.15 ± 3.00 | K | NIST |
| Tboil | 434.65 ± 6.00 | K | NIST |
| Tboil | 431.65 ± 5.00 | K | NIST |
| Tboil | 433.15 ± 4.00 | K | NIST |
| Tboil | Outlier 394.15 ± 10.00 | K | NIST |
| Tc | [595.80; 607.50] | K |
|
| Tc | 607.50 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tc | 607.50 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Tc | 607.50 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 607.50 | K | KDB |
| Tc | Outlier 595.80 | K | NIST |
| Tc | 607.50 ± 0.60 | K | NIST |
| Tfus | [211.00; 211.65] | K |
|
| Tfus | 211.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 211.00 | K | KDB |
| Tfus | 211.65 | K | Aq. Solubility Prediction |
| Tfus | 211.25 | K | NIST |
| Tfus | 211.25 ± 0.50 | K | NIST |
| Vc | 0.517 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Viscosity, Pa*s - Liquid |
| 303.15 | 101.33 | 0.0008 |
| Reference | ||
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.38; 468.95] | 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 | -5.59400e+00 | |||
| Coefficient B | 8.40040e-01 | |||
| Coefficient C | -4.60000e-04 | |||
| Coefficient D | 9.45000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 191.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 280.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 318.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 351.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 381.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 407.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 431.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 451.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 468.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [327.60; 454.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58831e+01 | |||
| Coefficient B | -4.15391e+03 | |||
| Coefficient C | -6.12460e+01 | |||
| Temperature range, min. | 327.60 | |||
| Temperature range, max. | 454.18 | |||
| Pvap | 1.33 | kPa | 327.60 | Calculated Property |
| Pvap | 2.91 | kPa | 341.66 | Calculated Property |
| Pvap | 5.91 | kPa | 355.73 | Calculated Property |
| Pvap | 11.25 | kPa | 369.79 | Calculated Property |
| Pvap | 20.23 | kPa | 383.86 | Calculated Property |
| Pvap | 34.64 | kPa | 397.92 | Calculated Property |
| Pvap | 56.81 | kPa | 411.99 | Calculated Property |
| Pvap | 89.69 | kPa | 426.05 | Calculated Property |
| Pvap | 136.88 | kPa | 440.12 | Calculated Property |
| Pvap | 202.66 | kPa | 454.18 | Calculated Property |
| Pvap | [1.33e-05; 3227.27] | kPa | [211.15; 607.50] |
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 | 2.10868e+02 | |||
| Coefficient B | -1.39301e+04 | |||
| Coefficient C | -2.93550e+01 | |||
| Coefficient D | 2.24570e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 211.15 | |||
| Temperature range, max. | 607.50 | |||
| Pvap | 1.33e-05 | kPa | 211.15 | Calculated Property |
| Pvap | 7.14e-03 | kPa | 255.19 | Calculated Property |
| Pvap | 0.36 | kPa | 299.23 | Calculated Property |
| Pvap | 4.68 | kPa | 343.27 | Calculated Property |
| Pvap | 28.15 | kPa | 387.31 | Calculated Property |
| Pvap | 105.41 | kPa | 431.34 | Calculated Property |
| Pvap | 296.67 | kPa | 475.38 | Calculated Property |
| Pvap | 706.38 | kPa | 519.42 | Calculated Property |
| Pvap | 1538.00 | kPa | 563.46 | Calculated Property |
| Pvap | 3227.27 | kPa | 607.50 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 0.01] | N/m | [211.15; 432.75] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 5.25039e-02 | |||
| Coefficient B | -9.52000e-05 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 211.15 | |||
| Temperature range, max. | 432.75 | |||
| γ | 0.03 | N/m | 211.15 | Calculated Property |
| γ | 0.03 | N/m | 235.77 | Calculated Property |
| γ | 0.03 | N/m | 260.39 | Calculated Property |
| γ | 0.03 | N/m | 285.02 | Calculated Property |
| γ | 0.02 | N/m | 309.64 | Calculated Property |
| γ | 0.02 | N/m | 334.26 | Calculated Property |
| γ | 0.02 | N/m | 358.88 | Calculated Property |
| γ | 0.02 | N/m | 383.51 | Calculated Property |
| γ | 0.01 | N/m | 408.13 | Calculated Property |
| γ | 0.01 | N/m | 432.75 | Calculated Property |
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