| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.2360; 0.4412] |
|
|
| ω | 0.2536 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.4412 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.2360 | KDB | |
| ΔcH°liquid | [-5265.70; -5265.30] | kJ/mol |
|
| ΔcH°liquid | -5265.70 ± 0.90 | kJ/mol | NIST |
| ΔcH°liquid | -5265.30 ± 1.60 | kJ/mol | NIST |
| ΔcH°solid | -5252.60 | kJ/mol | NIST |
| ΔfG° | 24.44 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 5265.56 | kJ/mol | KDB |
| Δc,netH | 4913.690 | kJ/mol | KDB |
| ΔfH°gas | -126.10 ± 1.60 | kJ/mol | NIST |
| ΔfH°liquid | -169.40 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 3.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.30; 44.70] | kJ/mol |
|
| ΔvapH° | 43.35 ± 0.21 | kJ/mol | NIST |
| ΔvapH° | 43.30 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | Outlier 44.70 | kJ/mol | NIST |
| ΔvapH° | 43.50 | kJ/mol | NIST |
| ΔvapH° | 43.35 ± 0.21 | kJ/mol | NIST |
| ΔvapH° | 43.30 ± 0.20 | kJ/mol | NIST |
| IE | [9.70; 10.08] | eV |
|
| IE | 9.75 ± 0.04 | eV | NIST |
| IE | 9.82 ± 0.05 | eV | NIST |
| IE | 9.75 | eV | NIST |
| IE | 9.74 ± 0.05 | eV | NIST |
| IE | Outlier 10.08 ± 0.05 | eV | NIST |
| IE | 9.80 | eV | NIST |
| IE | 9.70 | eV | NIST |
| log10WS | [-4.15; -4.15] |
|
|
| log10WS | -4.15 | Aq. Solubility Prediction | |
| log10WS | -4.15 | Estimated Solubility | |
| logPoct/wat | 3.121 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | [3447.38; 3560.00] | kPa |
|
| Pc | 3560.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Pc | 3559.55 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | Outlier 3447.38 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 3560.00 | kPa | KDB |
| Pc | 3560.00 ± 40.00 | kPa | NIST |
| Pc | 3550.00 ± 40.00 | kPa | NIST |
| Pc | 3560.00 ± 40.53 | kPa | NIST |
| ρc | 273.80 ± 4.49 | kg/m3 | NIST |
| Inp | [908.00; 965.80] |
|
|
| Inp | Outlier 965.80 | NIST | |
| Inp | Outlier 963.90 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | Outlier 965.00 | NIST | |
| Inp | 927.20 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 928.50 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 911.00 | NIST | |
| Ip | [1014.00; 1043.00] |
|
|
| Ip | 1036.00 | NIST | |
| Ip | 1023.00 | NIST | |
| Ip | 1043.00 | NIST | |
| Ip | 1014.00 | NIST | |
| Ip | 1036.00 | NIST | |
| S°gas | 366.80 ± 1.30 | J/mol×K | NIST |
| S°liquid | 262.00 | J/mol×K | NIST |
| Tboil | [416.00; 425.15] | K |
|
| Tboil | 422.00 | K | KDB |
| Tboil | 420.80 ± 1.00 | K | NIST |
| Tboil | 422.70 ± 1.00 | K | NIST |
| Tboil | 424.12 ± 0.30 | K | NIST |
| Tboil | 423.30 ± 0.50 | K | NIST |
| Tboil | 423.85 ± 0.30 | K | NIST |
| Tboil | 425.15 ± 2.00 | K | NIST |
| Tboil | 416.00 ± 4.00 | K | NIST |
| Tboil | 416.15 ± 5.00 | K | NIST |
| Tboil | 423.15 ± 1.00 | K | NIST |
| Tc | [618.15; 674.20] | K |
|
| Tc | 647.50 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tc | 647.20 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Tc | 647.20 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | Outlier 618.15 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 647.20 | K | KDB |
| Tc | 647.20 ± 0.50 | K | NIST |
| Tc | 674.20 ± 0.60 | K | NIST |
| Tc | 647.20 ± 0.50 | K | NIST |
| Tfus | [281.75; 287.98] | K |
|
| Tfus | 287.95 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 287.98 | K | KDB |
| Tfus | 287.08 | K | Aq. Solubility Prediction |
| Tfus | 287.74 ± 0.10 | K | NIST |
| Tfus | 287.82 ± 0.10 | K | NIST |
| Tfus | 287.50 ± 0.60 | K | NIST |
| Tfus | 284.20 ± 5.00 | K | NIST |
| Tfus | 281.90 ± 3.00 | K | NIST |
| Tfus | 284.90 ± 2.00 | K | NIST |
| Tfus | 286.90 ± 1.50 | K | NIST |
| Tfus | 281.75 ± 4.00 | K | NIST |
| Tfus | 282.90 ± 3.00 | K | NIST |
| Tfus | 287.65 ± 0.30 | K | NIST |
| Ttriple | [287.94; 288.00] | K |
|
| Ttriple | 287.94 ± 0.07 | K | NIST |
| Ttriple | 287.98 ± 0.05 | K | NIST |
| Ttriple | 287.94 ± 0.05 | K | NIST |
| Ttriple | 287.97 ± 0.02 | K | NIST |
| Ttriple | 288.00 ± 3.00 | K | NIST |
| Ttriple | 287.94 ± 0.07 | K | NIST |
| Ttriple | 287.98 ± 0.05 | K | NIST |
| Vc | [0.410; 0.411] | m3/kmol |
|
| Vc | 0.410 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| Vc | 0.410 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.410 | m3/kmol | KDB |
| Vc | 0.410 | m3/kmol | NIST |
| Vc | 0.411 ± 0.007 | m3/kmol | NIST |
| Zc | [0.2710000; 0.2712430] |
|
|
| Zc | 0.2710000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value | |
| Zc | 0.2712430 | KDB |
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [421.70; 424.20] | K | [98.70; 99.90] |
|
| Tboilr | 424.20 | K | 98.70 | NIST |
| Tboilr | 421.70 | K | 99.90 | NIST |
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Mass density, kg/m3 - Liquid |
| 100.00 | 298.15 | 831.61 |
| Reference | ||
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.02; 414.03] | 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 | -8.61700e+01 | |||
| Coefficient B | 8.93200e-01 | |||
| Coefficient C | -4.55000e-04 | |||
| Coefficient D | 6.20000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 175.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 221.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 297.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 329.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 356.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 379.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 398.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 414.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.99; 202.65] | kPa | [303.15; 445.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45798e+01 | |||
| Coefficient B | -3.61720e+03 | |||
| Coefficient C | -5.52360e+01 | |||
| Temperature range, min. | 303.15 | |||
| Temperature range, max. | 445.51 | |||
| Pvap | 0.99 | kPa | 303.15 | Calculated Property |
| Pvap | 2.37 | kPa | 318.97 | Calculated Property |
| Pvap | 5.16 | kPa | 334.79 | Calculated Property |
| Pvap | 10.31 | kPa | 350.60 | Calculated Property |
| Pvap | 19.22 | kPa | 366.42 | Calculated Property |
| Pvap | 33.72 | kPa | 382.24 | Calculated Property |
| Pvap | 56.18 | kPa | 398.06 | Calculated Property |
| Pvap | 89.47 | kPa | 413.87 | Calculated Property |
| Pvap | 137.00 | kPa | 429.69 | Calculated Property |
| Pvap | 202.65 | kPa | 445.51 | Calculated Property |
| Pvap | [17.98; 3564.09] | kPa | [367.00; 647.20] |
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 | 7.82856e+01 | |||
| Coefficient B | -7.74858e+03 | |||
| Coefficient C | -9.30682e+00 | |||
| Coefficient D | 5.02648e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 367.00 | |||
| Temperature range, max. | 647.20 | |||
| Pvap | 17.98 | kPa | 367.00 | Calculated Property |
| Pvap | 49.50 | kPa | 398.13 | Calculated Property |
| Pvap | 114.70 | kPa | 429.27 | Calculated Property |
| Pvap | 232.89 | kPa | 460.40 | Calculated Property |
| Pvap | 426.91 | kPa | 491.53 | Calculated Property |
| Pvap | 722.50 | kPa | 522.67 | Calculated Property |
| Pvap | 1148.39 | kPa | 553.80 | Calculated Property |
| Pvap | 1737.15 | kPa | 584.93 | Calculated Property |
| Pvap | 2526.94 | kPa | 616.07 | Calculated Property |
| Pvap | 3564.09 | kPa | 647.20 | Calculated Property |
| Pvap | [19.92; 270.40] | kPa | [369.86; 467.60] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37880e+01 | |||
| Coefficient B | -3.31270e+03 | |||
| Coefficient C | -6.30240e+01 | |||
| Reference | Finke, Scott, et al., 1956 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 369.86 | |||
| Temperature range, max. | 467.60 | |||
| Pvap | 19.92 | kPa | 369.86 | Calculated Property |
| Pvap | 28.81 | kPa | 380.72 | Calculated Property |
| Pvap | 40.67 | kPa | 391.58 | Calculated Property |
| Pvap | 56.15 | kPa | 402.44 | Calculated Property |
| Pvap | 75.99 | kPa | 413.30 | Calculated Property |
| Pvap | 100.99 | kPa | 424.16 | Calculated Property |
| Pvap | 132.00 | kPa | 435.02 | Calculated Property |
| Pvap | 169.93 | kPa | 445.88 | Calculated Property |
| Pvap | 215.74 | kPa | 456.74 | Calculated Property |
| Pvap | 270.40 | kPa | 467.60 | Calculated Property |
| Pvap | [19.92; 270.40] | kPa | [369.86; 467.60] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37880e+01 | |||
| Coefficient B | -3.31270e+03 | |||
| Coefficient C | -6.30240e+01 | |||
| Reference | Finke, Scott, et al., 1956, 3 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 369.86 | |||
| Temperature range, max. | 467.60 | |||
| Pvap | 19.92 | kPa | 369.86 | Calculated Property |
| Pvap | 28.81 | kPa | 380.72 | Calculated Property |
| Pvap | 40.67 | kPa | 391.58 | Calculated Property |
| Pvap | 56.15 | kPa | 402.44 | Calculated Property |
| Pvap | 75.99 | kPa | 413.30 | Calculated Property |
| Pvap | 100.99 | kPa | 424.16 | Calculated Property |
| Pvap | 132.00 | kPa | 435.02 | Calculated Property |
| Pvap | 169.93 | kPa | 445.88 | Calculated Property |
| Pvap | 215.74 | kPa | 456.74 | Calculated Property |
| Pvap | 270.40 | kPa | 467.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 0.02] | N/m | [287.95; 424.25] |
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 | 6.17934e-02 | |||
| Coefficient B | -1.09000e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 287.95 | |||
| Temperature range, max. | 424.25 | |||
| γ | 0.03 | N/m | 287.95 | Calculated Property |
| γ | 0.03 | N/m | 303.09 | Calculated Property |
| γ | 0.03 | N/m | 318.24 | Calculated Property |
| γ | 0.03 | N/m | 333.38 | Calculated Property |
| γ | 0.02 | N/m | 348.53 | Calculated Property |
| γ | 0.02 | N/m | 363.67 | Calculated Property |
| γ | 0.02 | N/m | 378.82 | Calculated Property |
| γ | 0.02 | N/m | 393.96 | Calculated Property |
| γ | 0.02 | N/m | 409.11 | Calculated Property |
| γ | 0.02 | N/m | 424.25 | Calculated Property |
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