| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3130 | KDB | |
| PAff | 794.10 | kJ/mol | NIST |
| BasG | 763.00 | kJ/mol | NIST |
| ΔcH°liquid | [-1948.30; -1918.00] | kJ/mol |
|
| ΔcH°liquid | -1948.30 ± 0.54 | kJ/mol | NIST |
| ΔcH°liquid | -1918.00 | kJ/mol | NIST |
| μ | 3.70 | debye | KDB |
| EA | 0.02 ± 0.00 | eV | NIST |
| ΔfG° | 96.21 | kJ/mol | KDB |
| ΔfH°gas | [50.66; 51.46] | kJ/mol |
|
| ΔfH°gas | 50.66 | kJ/mol | KDB |
| ΔfH°gas | 51.46 | kJ/mol | NIST |
| ΔfH°liquid | 15.50 | kJ/mol | NIST |
| ΔfusH° | 5.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.00; 37.10] | kJ/mol |
|
| ΔvapH° | 36.19 | kJ/mol | NIST |
| ΔvapH° | 37.10 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 36.00 | kJ/mol | NIST |
| ΔvapH° | 36.00 | kJ/mol | NIST |
| ΔvapH° | 36.03 ± 0.02 | kJ/mol | NIST |
| ΔvapH° | 36.70 ± 0.30 | kJ/mol | NIST |
| IE | [11.50; 11.90] | eV |
|
| IE | 11.85 ± 0.02 | eV | NIST |
| IE | Outlier 11.50 ± 0.25 | eV | NIST |
| IE | 11.90 | eV | NIST |
| IE | 11.85 ± 0.01 | eV | NIST |
| IE | 11.85 | eV | NIST |
| IE | 11.84 ± 0.02 | eV | NIST |
| log10WS | [0.28; 0.28] |
|
|
| log10WS | 0.28 | Aq. Solubility Prediction | |
| log10WS | 0.28 | Estimated Solubility | |
| logPoct/wat | 0.920 | Crippen Calculated Property | |
| McVol | 54.510 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 4 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | [4174.59; 4260.00] | kPa |
|
| Pc | 4260.00 | kPa | KDB |
| Pc | 4260.00 ± 10.00 | kPa | NIST |
| Pc | 4180.00 ± 91.19 | kPa | NIST |
| Pc | 4174.59 ± 81.06 | kPa | NIST |
| Pc | 4194.85 ± 81.06 | kPa | NIST |
| Inp | [510.00; 592.00] |
|
|
| Inp | 543.33 | NIST | |
| Inp | 543.83 | NIST | |
| Inp | 544.44 | NIST | |
| Inp | 545.05 | NIST | |
| Inp | 545.79 | NIST | |
| Inp | 546.65 | NIST | |
| Inp | 547.65 | NIST | |
| Inp | 548.60 | NIST | |
| Inp | 549.63 | NIST | |
| Inp | 550.75 | NIST | |
| Inp | 543.13 | NIST | |
| Inp | 542.69 | NIST | |
| Inp | 542.41 | NIST | |
| Inp | 542.29 | NIST | |
| Inp | 542.32 | NIST | |
| Inp | 542.38 | NIST | |
| Inp | 542.60 | NIST | |
| Inp | 542.90 | NIST | |
| Inp | Outlier 592.00 | NIST | |
| Inp | 545.30 | NIST | |
| Inp | 523.00 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 547.00 | NIST | |
| Inp | 533.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | Outlier 510.00 | NIST | |
| Inp | 573.70 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 555.00 | NIST | |
| Inp | 557.00 | NIST | |
| Inp | 544.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | 539.00 | NIST | |
| Inp | 542.00 | NIST | |
| Inp | 539.00 | NIST | |
| Inp | Outlier 580.00 | NIST | |
| Inp | Outlier 580.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | Outlier 580.00 | NIST | |
| Inp | 554.00 | NIST | |
| I | [1015.00; 1046.00] |
|
|
| I | 1023.00 | NIST | |
| I | 1046.00 | NIST | |
| I | 1015.00 | NIST | |
| S°liquid | 189.33 | J/mol×K | NIST |
| Tboil | [365.00; 391.70] | K |
|
| Tboil | 370.29 | K | KDB |
| Tboil | 370.50 | K | NIST |
| Tboil | 371.00 | K | NIST |
| Tboil | 370.45 ± 0.50 | K | NIST |
| Tboil | 370.50 ± 0.30 | K | NIST |
| Tboil | 370.50 ± 0.30 | K | NIST |
| Tboil | 370.00 ± 1.00 | K | NIST |
| Tboil | 370.48 ± 0.20 | K | NIST |
| Tboil | 370.00 ± 1.50 | K | NIST |
| Tboil | 369.00 ± 1.50 | K | NIST |
| Tboil | 371.00 ± 1.50 | K | NIST |
| Tboil | 370.30 ± 0.50 | K | NIST |
| Tboil | 369.70 ± 2.00 | K | NIST |
| Tboil | 370.50 ± 0.07 | K | NIST |
| Tboil | 370.15 ± 1.50 | K | NIST |
| Tboil | Outlier 390.00 ± 3.00 | K | NIST |
| Tboil | 368.00 ± 2.00 | K | NIST |
| Tboil | 370.00 ± 2.00 | K | NIST |
| Tboil | 370.29 ± 0.30 | K | NIST |
| Tboil | 369.80 ± 0.40 | K | NIST |
| Tboil | 370.35 ± 0.30 | K | NIST |
| Tboil | 370.40 ± 0.30 | K | NIST |
| Tboil | 369.00 ± 2.00 | K | NIST |
| Tboil | 370.30 ± 0.50 | K | NIST |
| Tboil | 370.00 ± 0.40 | K | NIST |
| Tboil | 370.00 ± 2.00 | K | NIST |
| Tboil | 370.30 ± 0.30 | K | NIST |
| Tboil | 370.40 ± 0.10 | K | NIST |
| Tboil | 370.40 ± 0.30 | K | NIST |
| Tboil | 365.00 ± 5.00 | K | NIST |
| Tboil | 370.80 ± 0.70 | K | NIST |
| Tboil | 370.80 ± 0.60 | K | NIST |
| Tboil | 371.00 ± 2.00 | K | NIST |
| Tboil | 370.31 ± 0.40 | K | NIST |
| Tboil | 371.40 ± 1.00 | K | NIST |
| Tboil | Outlier 391.70 ± 2.00 | K | NIST |
| Tc | [558.70; 561.30] | K |
|
| Tc | 561.30 | K | KDB |
| Tc | 561.30 ± 0.20 | K | NIST |
| Tc | 558.70 ± 2.00 | K | NIST |
| Tc | 558.85 ± 1.00 | K | NIST |
| Tc | 558.85 ± 1.00 | K | NIST |
| Tfus | [171.15; 182.00] | K |
|
| Tfus | 180.26 | K | KDB |
| Tfus | 180.59 | K | Aq. Solubility Prediction |
| Tfus | 180.30 ± 0.60 | K | NIST |
| Tfus | 180.26 ± 0.10 | K | NIST |
| Tfus | 181.15 ± 0.50 | K | NIST |
| Tfus | 182.00 ± 2.00 | K | NIST |
| Tfus | 181.25 ± 0.20 | K | NIST |
| Tfus | Outlier 171.15 ± 6.00 | K | NIST |
| Tfus | 181.30 ± 0.20 | K | NIST |
| Tfus | 181.30 ± 0.20 | K | NIST |
| Ttriple | 180.37 ± 0.02 | K | NIST |
| Vc | 0.229 | m3/kmol | KDB |
| Zc | 0.2090320 | KDB |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 4308.85] | kPa | [275.44; 564.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42491e+01 | |||
| Coefficient B | -2.93590e+03 | |||
| Coefficient C | -6.51540e+01 | |||
| Temperature range, min. | 275.44 | |||
| Temperature range, max. | 564.40 | |||
| Pvap | 1.33 | kPa | 275.44 | Calculated Property |
| Pvap | 8.47 | kPa | 307.55 | Calculated Property |
| Pvap | 34.94 | kPa | 339.65 | Calculated Property |
| Pvap | 107.08 | kPa | 371.76 | Calculated Property |
| Pvap | 265.41 | kPa | 403.87 | Calculated Property |
| Pvap | 562.15 | kPa | 435.97 | Calculated Property |
| Pvap | 1056.42 | kPa | 468.08 | Calculated Property |
| Pvap | 1808.77 | kPa | 500.19 | Calculated Property |
| Pvap | 2876.26 | kPa | 532.29 | Calculated Property |
| Pvap | 4308.85 | kPa | 564.40 | Calculated Property |
| Pvap | [1.71e-04; 4315.21] | kPa | [180.26; 564.40] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.95302e+01 | |||
| Coefficient B | -6.51183e+03 | |||
| Coefficient C | -8.13958e+00 | |||
| Coefficient D | 6.11437e-06 | |||
| Temperature range, min. | 180.26 | |||
| Temperature range, max. | 564.40 | |||
| Pvap | 1.71e-04 | kPa | 180.26 | Calculated Property |
| Pvap | 0.03 | kPa | 222.94 | Calculated Property |
| Pvap | 1.01 | kPa | 265.62 | Calculated Property |
| Pvap | 10.40 | kPa | 308.31 | Calculated Property |
| Pvap | 56.07 | kPa | 350.99 | Calculated Property |
| Pvap | 200.01 | kPa | 393.67 | Calculated Property |
| Pvap | 541.92 | kPa | 436.35 | Calculated Property |
| Pvap | 1216.91 | kPa | 479.04 | Calculated Property |
| Pvap | 2398.54 | kPa | 521.72 | Calculated Property |
| Pvap | 4315.21 | kPa | 564.40 | Calculated Property |
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