| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1990 | KDB | |
| PAff | 628.00 ± 8.00 | kJ/mol | NIST |
| BasG | 602.00 ± 8.00 | kJ/mol | NIST |
| ΔcH°liquid | [-605.80; -602.50] | kJ/mol |
|
| ΔcH°liquid | -602.50 | kJ/mol | NIST |
| ΔcH°liquid | -605.80 ± 8.40 | kJ/mol | NIST |
| μ | 1.80 | debye | KDB |
| ΔfG° | -68.91 | kJ/mol | KDB |
| Rg | 2.4320 | KDB | |
| ΔfH°gas | [-95.70; -95.10] | kJ/mol |
|
| ΔfH°gas | -95.46 | kJ/mol | KDB |
| ΔfH°gas | -95.10 ± 2.50 | kJ/mol | NIST |
| ΔfH°gas | -95.70 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | [-124.30; -124.10] | kJ/mol |
|
| ΔfH°liquid | -124.10 ± 2.50 | kJ/mol | NIST |
| ΔfH°liquid | -124.30 | kJ/mol | NIST |
| ΔfusH° | 6.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [28.50; 30.60] | kJ/mol |
|
| ΔvapH° | 29.00 | kJ/mol | NIST |
| ΔvapH° | 29.03 ± 0.08 | kJ/mol | NIST |
| ΔvapH° | 30.60 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 28.80 | kJ/mol | NIST |
| ΔvapH° | 28.50 ± 0.42 | kJ/mol | NIST |
| IE | [11.28; 11.40] | eV |
|
| IE | 11.33 ± 0.04 | eV | NIST |
| IE | 11.32 | eV | NIST |
| IE | 11.40 | eV | NIST |
| IE | 11.32 ± 0.01 | eV | NIST |
| IE | 11.28 | eV | NIST |
| IE | 11.33 | eV | NIST |
| IE | 11.36 | eV | NIST |
| IE | 11.35 ± 0.02 | eV | NIST |
| IE | 11.40 | eV | NIST |
| log10WS | [-0.63; -0.63] |
|
|
| log10WS | -0.63 | Aq. Solubility Prediction | |
| log10WS | -0.63 | Estimated Solubility | |
| logPoct/wat | 1.421 | Crippen Calculated Property | |
| McVol | 49.430 | ml/mol | McGowan Calculated Property |
| NFPA Health | 2 | KDB | |
| Pc | [6100.00; 6355.00] | kPa |
|
| Pc | 6100.00 | kPa | KDB |
| Pc | 6355.00 ± 15.00 | kPa | NIST |
| Inp | [477.00; 555.90] |
|
|
| Inp | Outlier 553.50 | NIST | |
| Inp | Outlier 555.90 | NIST | |
| Inp | Outlier 553.70 | NIST | |
| Inp | 548.40 | NIST | |
| Inp | 542.20 | NIST | |
| Inp | 506.30 | NIST | |
| Inp | 518.00 | NIST | |
| Inp | 504.90 | NIST | |
| Inp | 508.00 | NIST | |
| Inp | 516.90 | NIST | |
| Inp | 516.50 | NIST | |
| Inp | 537.80 | NIST | |
| Inp | 537.90 | NIST | |
| Inp | 519.00 | NIST | |
| Inp | 520.00 | NIST | |
| Inp | 518.00 | NIST | |
| Inp | Outlier 486.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | 497.90 | NIST | |
| Inp | Outlier 477.00 | NIST | |
| Inp | 511.00 | NIST | |
| Inp | 513.00 | NIST | |
| Inp | 531.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 510.00 | NIST | |
| Inp | 512.70 | NIST | |
| Inp | 531.60 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | 520.00 | NIST | |
| Inp | Outlier 480.00 | NIST | |
| Inp | Outlier 488.00 | NIST | |
| Inp | 531.00 | NIST | |
| Inp | 531.00 | NIST | |
| Inp | 528.00 | NIST | |
| Inp | 514.00 | NIST | |
| Inp | 520.00 | NIST | |
| Inp | 511.00 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 528.00 | NIST | |
| Inp | 529.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 519.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 531.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 512.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 504.00 | NIST | |
| Inp | 510.00 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 530.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 512.70 | NIST | |
| Inp | 531.00 | NIST | |
| Inp | 511.00 | NIST | |
| I | [905.00; 953.00] |
|
|
| I | 937.20 | NIST | |
| I | 948.00 | NIST | |
| I | 946.00 | NIST | |
| I | 935.70 | NIST | |
| I | 932.62 | NIST | |
| I | 926.65 | NIST | |
| I | 933.00 | NIST | |
| I | 933.00 | NIST | |
| I | 914.00 | NIST | |
| I | 925.00 | NIST | |
| I | 931.00 | NIST | |
| I | 948.00 | NIST | |
| I | Outlier 905.00 | NIST | |
| I | 937.20 | NIST | |
| I | 936.00 | NIST | |
| I | 927.00 | NIST | |
| I | 933.00 | NIST | |
| I | 953.00 | NIST | |
| I | 944.00 | NIST | |
| I | 932.00 | NIST | |
| I | 937.00 | NIST | |
| I | 944.00 | NIST | |
| I | 933.00 | NIST | |
| I | 919.00 | NIST | |
| I | 925.00 | NIST | |
| I | 928.00 | NIST | |
| I | 912.00 | NIST | |
| I | 927.00 | NIST | |
| I | 933.00 | NIST | |
| I | 914.00 | NIST | |
| I | 917.00 | NIST | |
| I | 933.00 | NIST | |
| I | 948.00 | NIST | |
| S°liquid | 174.50 | J/mol×K | NIST |
| Tboil | [312.92; 314.95] | K |
|
| Tboil | 313.00 | K | KDB |
| Tboil | 312.93 ± 0.20 | K | NIST |
| Tboil | 313.00 | K | NIST |
| Tboil | 312.92 ± 0.07 | K | NIST |
| Tboil | 313.30 ± 0.30 | K | NIST |
| Tboil | 312.95 ± 0.50 | K | NIST |
| Tboil | 313.15 ± 1.00 | K | NIST |
| Tboil | 313.20 ± 0.50 | K | NIST |
| Tboil | 313.20 ± 1.00 | K | NIST |
| Tboil | 313.35 ± 0.20 | K | NIST |
| Tboil | 312.95 ± 0.30 | K | NIST |
| Tboil | Outlier 314.70 ± 0.50 | K | NIST |
| Tboil | Outlier 314.95 ± 0.50 | K | NIST |
| Tc | [508.00; 510.00] | K |
|
| Tc | 510.00 | K | KDB |
| Tc | 508.00 ± 0.20 | K | NIST |
| Tc | 510.00 | K | NIST |
| Tfus | [176.00; 198.06] | K |
|
| Tfus | 178.01 | K | KDB |
| Tfus | 177.62 | K | Aq. Solubility Prediction |
| Tfus | Outlier 198.06 ± 0.40 | K | NIST |
| Tfus | 176.00 ± 1.50 | K | NIST |
| Tfus | 177.00 ± 2.00 | K | NIST |
| Tfus | 176.65 ± 0.40 | K | NIST |
| Vc | 0.179 | m3/kmol | Relay (1.0) Calculated Property |
| Zra | 0.26 | KDB |
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboil | 313.25 | K | 96.60 | Low cost apparatus for rapid boiling point determination of small air sensitive samples under inert atmosphere |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 6037.79] | kPa | [229.18; 510.00] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43555e+01 | |||
| Coefficient B | -2.65134e+03 | |||
| Coefficient C | -4.07080e+01 | |||
| Temperature range, min. | 229.18 | |||
| Temperature range, max. | 510.00 | |||
| Pvap | 1.33 | kPa | 229.18 | Calculated Property |
| Pvap | 9.84 | kPa | 260.38 | Calculated Property |
| Pvap | 44.13 | kPa | 291.58 | Calculated Property |
| Pvap | 142.05 | kPa | 322.79 | Calculated Property |
| Pvap | 362.24 | kPa | 353.99 | Calculated Property |
| Pvap | 779.68 | kPa | 385.19 | Calculated Property |
| Pvap | 1477.51 | kPa | 416.39 | Calculated Property |
| Pvap | 2538.44 | kPa | 447.60 | Calculated Property |
| Pvap | 4037.60 | kPa | 478.80 | Calculated Property |
| Pvap | 6037.79 | kPa | 510.00 | Calculated Property |
| Pvap | [7.05e-03; 6143.24] | kPa | [178.01; 510.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.08779e+01 | |||
| Coefficient B | -6.03061e+03 | |||
| Coefficient C | -1.00863e+01 | |||
| Coefficient D | 9.81251e-06 | |||
| Temperature range, min. | 178.01 | |||
| Temperature range, max. | 510.00 | |||
| Pvap | 7.05e-03 | kPa | 178.01 | Calculated Property |
| Pvap | 0.41 | kPa | 214.90 | Calculated Property |
| Pvap | 5.96 | kPa | 251.79 | Calculated Property |
| Pvap | 38.97 | kPa | 288.67 | Calculated Property |
| Pvap | 154.35 | kPa | 325.56 | Calculated Property |
| Pvap | 441.82 | kPa | 362.45 | Calculated Property |
| Pvap | 1018.41 | kPa | 399.34 | Calculated Property |
| Pvap | 2026.99 | kPa | 436.22 | Calculated Property |
| Pvap | 3650.30 | kPa | 473.11 | Calculated Property |
| Pvap | 6143.24 | kPa | 510.00 | Calculated Property |
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