| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1886 | Relay (1.0) Calculated Property | |
| PAff | 784.50 | kJ/mol | NIST |
| BasG | 752.00 | kJ/mol | NIST |
| ΔcH°liquid | [-3761.00; -3751.50] | kJ/mol |
|
| ΔcH°liquid | -3752.39 ± 0.49 | kJ/mol | NIST |
| ΔcH°liquid | -3752.00 ± 0.50 | kJ/mol | NIST |
| ΔcH°liquid | -3751.50 ± 0.50 | kJ/mol | NIST |
| ΔcH°liquid | -3761.00 | kJ/mol | NIST |
| ΔfG° | 61.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-7.10; -4.32] | kJ/mol |
|
| ΔfH°gas | -4.32 ± 0.98 | kJ/mol | NIST |
| ΔfH°gas | -4.70 | kJ/mol | NIST |
| ΔfH°gas | -5.30 | kJ/mol | NIST |
| ΔfH°gas | -7.10 | kJ/mol | NIST |
| ΔfH°liquid | [-40.60; -37.80] | kJ/mol |
|
| ΔfH°liquid | -37.80 ± 8.20 | kJ/mol | NIST |
| ΔfH°liquid | -38.20 ± 0.59 | kJ/mol | NIST |
| ΔfH°liquid | -38.80 ± 0.59 | kJ/mol | NIST |
| ΔfH°liquid | -40.60 ± 0.79 | kJ/mol | NIST |
| ΔfusH° | 3.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [30.50; 33.57] | kJ/mol |
|
| ΔvapH° | 33.57 | kJ/mol | NIST |
| ΔvapH° | 33.50 ± 0.53 | kJ/mol | NIST |
| ΔvapH° | 33.50 | kJ/mol | NIST |
| ΔvapH° | 33.50 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 30.50 ± 0.30 | kJ/mol | NIST |
| IE | [8.92; 9.57] | eV |
|
| IE | 8.95 ± 0.01 | eV | NIST |
| IE | 8.94 | eV | NIST |
| IE | 8.94 ± 0.02 | eV | NIST |
| IE | 8.95 | eV | NIST |
| IE | 8.94 ± 0.01 | eV | NIST |
| IE | Outlier 9.57 ± 0.05 | eV | NIST |
| IE | 8.99 | eV | NIST |
| IE | 8.92 | eV | NIST |
| IE | 8.95 ± 0.01 | eV | NIST |
| IE | 8.94 | eV | NIST |
| IE | 8.92 ± 0.02 | eV | NIST |
| IE | 8.95 ± 0.01 | eV | NIST |
| IE | 9.09 | eV | NIST |
| IE | 9.12 | eV | NIST |
| IE | 9.12 | eV | NIST |
| IE | 9.12 | eV | NIST |
| IE | 9.11 | eV | NIST |
| log10WS | [-2.59; -2.59] |
|
|
| log10WS | -2.59 | Aq. Solubility Prediction | |
| log10WS | -2.59 | Estimated Solubility | |
| logPoct/wat | 2.117 | Crippen Calculated Property | |
| McVol | 80.240 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Inp | [643.00; 714.00] |
|
|
| Inp | Outlier 705.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | Outlier 704.40 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 680.50 | NIST | |
| Inp | 676.80 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 687.50 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 685.10 | NIST | |
| Inp | 675.90 | NIST | |
| Inp | Outlier 704.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 675.70 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 670.50 | NIST | |
| Inp | 670.40 | NIST | |
| Inp | 672.40 | NIST | |
| Inp | 672.40 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 668.30 | NIST | |
| Inp | 674.40 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | Outlier 707.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 673.60 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 687.40 | NIST | |
| Inp | 701.10 | NIST | |
| Inp | 677.10 | NIST | |
| Inp | 676.70 | NIST | |
| Inp | 678.80 | NIST | |
| Inp | 677.10 | NIST | |
| Inp | 676.70 | NIST | |
| Inp | 678.80 | NIST | |
| Inp | 667.76 | NIST | |
| Inp | 667.80 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | Outlier 643.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | Outlier 714.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | Outlier 705.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 679.00 | NIST | |
| I | [808.00; 850.00] |
|
|
| I | 822.00 | NIST | |
| I | 850.00 | NIST | |
| I | 832.00 | NIST | |
| I | 841.00 | NIST | |
| I | 825.00 | NIST | |
| I | 850.00 | NIST | |
| I | 849.70 | NIST | |
| I | 832.40 | NIST | |
| I | 840.90 | NIST | |
| I | 849.70 | NIST | |
| I | 832.40 | NIST | |
| I | 840.90 | NIST | |
| I | 808.00 | NIST | |
| I | 808.00 | NIST | |
| I | 808.00 | NIST | |
| I | 811.00 | NIST | |
| I | 808.00 | NIST | |
| S°gas | 310.45 | J/mol×K | NIST |
| S°liquid | [214.60; 216.70] | J/mol×K |
|
| S°liquid | 214.60 | J/mol×K | NIST |
| S°liquid | 216.19 | J/mol×K | NIST |
| S°liquid | 216.70 | J/mol×K | NIST |
| Tboil | [353.00; 358.00] | K |
|
| Tboil | 355.97 | K | Isobaric vapor liquid equilibrium for binary mixtures of 1-hexene + n-hexane and cyclohexane + cyclohexene at 30, 60 and 101.3 kPa |
| Tboil | 356.15 | K | Vapor Liquid Equilibrium Data for Binary Systems of N,N-Dimethylacetamide with Cyclohexene, Cyclohexane, and Benzene Separately at Atmospheric Pressure |
| Tboil | 355.97 | K | Isobaric Vapor-Liquid Equilibria for Binary and Ternary Mixtures with Cyclohexane, Cyclohexene, and Methyl Isobutyl Ketone at 100 kPa |
| Tboil | 355.97 | K | Isobaric Vapor-Liquid Equilibria for Binary and Ternary Mixtures with Cyclohexane, Cyclohexene, and 2-Methoxyethanol at 100 kPa |
| Tboil | 356.13 | K | KDB |
| Tboil | 356.15 ± 0.10 | K | NIST |
| Tboil | 356.20 | K | NIST |
| Tboil | 355.50 ± 0.50 | K | NIST |
| Tboil | 356.20 | K | NIST |
| Tboil | 356.16 ± 0.20 | K | NIST |
| Tboil | 356.00 ± 1.00 | K | NIST |
| Tboil | 356.15 ± 0.40 | K | NIST |
| Tboil | 356.30 ± 0.40 | K | NIST |
| Tboil | 354.15 ± 2.00 | K | NIST |
| Tboil | 356.30 ± 0.30 | K | NIST |
| Tboil | 356.13 ± 0.30 | K | NIST |
| Tboil | Outlier 354.00 ± 5.00 | K | NIST |
| Tboil | 355.90 ± 2.00 | K | NIST |
| Tboil | 356.15 ± 0.10 | K | NIST |
| Tboil | Outlier 354.00 ± 3.00 | K | NIST |
| Tboil | 356.90 ± 1.00 | K | NIST |
| Tboil | Outlier 353.00 ± 4.00 | K | NIST |
| Tboil | 355.00 ± 5.00 | K | NIST |
| Tboil | 357.00 ± 4.00 | K | NIST |
| Tboil | 356.15 ± 0.30 | K | NIST |
| Tboil | 355.70 ± 0.50 | K | NIST |
| Tboil | 355.65 ± 1.00 | K | NIST |
| Tboil | Outlier 354.00 ± 5.00 | K | NIST |
| Tboil | 356.20 ± 0.40 | K | NIST |
| Tboil | 356.10 ± 0.50 | K | NIST |
| Tboil | 356.20 ± 0.60 | K | NIST |
| Tboil | 355.00 ± 2.00 | K | NIST |
| Tboil | 356.15 ± 1.00 | K | NIST |
| Tboil | 356.12 ± 0.10 | K | NIST |
| Tboil | 355.00 ± 2.00 | K | NIST |
| Tboil | 356.40 ± 1.00 | K | NIST |
| Tboil | 355.90 ± 0.40 | K | NIST |
| Tboil | 355.50 ± 0.50 | K | NIST |
| Tboil | 357.00 ± 4.00 | K | NIST |
| Tboil | 356.00 ± 0.60 | K | NIST |
| Tboil | 356.34 ± 0.20 | K | NIST |
| Tboil | 355.30 ± 0.40 | K | NIST |
| Tboil | 357.00 ± 3.00 | K | NIST |
| Tboil | 355.85 ± 0.50 | K | NIST |
| Tboil | 357.00 ± 2.00 | K | NIST |
| Tboil | 355.85 ± 0.15 | K | NIST |
| Tboil | 356.30 ± 0.60 | K | NIST |
| Tboil | 357.00 ± 3.00 | K | NIST |
| Tboil | Outlier 358.00 ± 3.00 | K | NIST |
| Tboil | 355.80 ± 0.30 | K | NIST |
| Tboil | 357.00 ± 3.00 | K | NIST |
| Tboil | 356.70 ± 2.00 | K | NIST |
| Tboil | Outlier 354.00 ± 3.00 | K | NIST |
| Tboil | 356.40 ± 0.20 | K | NIST |
| Tboil | 357.00 ± 4.00 | K | NIST |
| Tboil | 356.40 ± 2.00 | K | NIST |
| Tboil | 356.00 ± 3.00 | K | NIST |
| Tboil | Outlier 354.00 ± 4.00 | K | NIST |
| Tboil | 356.00 ± 3.00 | K | NIST |
| Tboil | 356.45 ± 1.00 | K | NIST |
| Tboil | 357.00 ± 2.00 | K | NIST |
| Tboil | 355.50 ± 2.00 | K | NIST |
| Tc | [553.50; 560.42] | K |
|
| Tc | 560.40 | K | KDB |
| Tc | 560.40 ± 0.10 | K | NIST |
| Tc | 560.40 | K | NIST |
| Tc | 560.40 ± 0.30 | K | NIST |
| Tc | 560.42 ± 0.02 | K | NIST |
| Tc | Outlier 553.50 ± 0.15 | K | NIST |
| Tfus | [168.00; 169.80] | K |
|
| Tfus | 169.60 | K | KDB |
| Tfus | 169.27 | K | Aq. Solubility Prediction |
| Tfus | 169.64 ± 0.06 | K | NIST |
| Tfus | 169.45 ± 0.50 | K | NIST |
| Tfus | 169.49 ± 0.20 | K | NIST |
| Tfus | Outlier 168.00 ± 3.00 | K | NIST |
| Tfus | 169.80 ± 0.30 | K | NIST |
| Tfus | 169.00 ± 1.50 | K | NIST |
| Tfus | 169.05 ± 0.20 | K | NIST |
| Tfus | 169.10 ± 1.00 | K | NIST |
| Tfus | 169.00 ± 0.30 | K | NIST |
| Ttriple | [169.00; 169.67] | K |
|
| Ttriple | 169.66 ± 0.02 | K | NIST |
| Ttriple | 169.67 ± 0.05 | K | NIST |
| Ttriple | 169.00 ± 0.20 | K | NIST |
| Ttriple | 169.66 ± 0.02 | K | NIST |
| Ttriple | 169.67 ± 0.05 | K | NIST |
| Ttriple | 169.00 ± 0.20 | K | NIST |
| Vc | 0.288 | m3/kmol | Relay (1.0) Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [258.08; 380.72] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41558e+01 | |||
| Coefficient B | -2.99426e+03 | |||
| Coefficient C | -4.21740e+01 | |||
| Temperature range, min. | 258.08 | |||
| Temperature range, max. | 380.72 | |||
| Pvap | 1.33 | kPa | 258.08 | Calculated Property |
| Pvap | 3.04 | kPa | 271.71 | Calculated Property |
| Pvap | 6.31 | kPa | 285.33 | Calculated Property |
| Pvap | 12.13 | kPa | 298.96 | Calculated Property |
| Pvap | 21.82 | kPa | 312.59 | Calculated Property |
| Pvap | 37.12 | kPa | 326.21 | Calculated Property |
| Pvap | 60.14 | kPa | 339.84 | Calculated Property |
| Pvap | 93.42 | kPa | 353.47 | Calculated Property |
| Pvap | 139.83 | kPa | 367.09 | Calculated Property |
| Pvap | 202.63 | kPa | 380.72 | Calculated Property |
| Pvap | [9.03e-05; 4391.33] | kPa | [169.67; 560.40] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.66975e+01 | |||
| Coefficient B | -6.84280e+03 | |||
| Coefficient C | -1.08968e+01 | |||
| Coefficient D | 9.11435e-06 | |||
| Temperature range, min. | 169.67 | |||
| Temperature range, max. | 560.40 | |||
| Pvap | 9.03e-05 | kPa | 169.67 | Calculated Property |
| Pvap | 0.03 | kPa | 213.08 | Calculated Property |
| Pvap | 1.19 | kPa | 256.50 | Calculated Property |
| Pvap | 12.83 | kPa | 299.91 | Calculated Property |
| Pvap | 67.91 | kPa | 343.33 | Calculated Property |
| Pvap | 232.04 | kPa | 386.74 | Calculated Property |
| Pvap | 599.80 | kPa | 430.16 | Calculated Property |
| Pvap | 1293.07 | kPa | 473.57 | Calculated Property |
| Pvap | 2475.87 | kPa | 516.99 | Calculated Property |
| Pvap | 4391.33 | kPa | 560.40 | Calculated Property |
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