| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4009 | Relay (1.0) Calculated Property | |
| PAff | 943.70 | kJ/mol | NIST |
| BasG | 914.70 | kJ/mol | NIST |
| ΔcH°solid | [-2961.40; -2957.60] | kJ/mol |
|
| ΔcH°solid | -2961.40 ± 1.10 | kJ/mol | NIST |
| ΔcH°solid | -2957.60 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 190.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [21.20; 25.00] | kJ/mol |
|
| ΔfH°gas | 25.00 ± 6.30 | kJ/mol | NIST |
| ΔfH°gas | 21.20 | kJ/mol | NIST |
| ΔfH°solid | [-45.60; -41.80] | kJ/mol |
|
| ΔfH°solid | -41.80 ± 1.10 | kJ/mol | NIST |
| ΔfH°solid | -45.60 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 16.06 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [66.80; 67.00] | kJ/mol |
|
| ΔsubH° | 67.00 ± 6.30 | kJ/mol | NIST |
| ΔsubH° | 66.80 | kJ/mol | NIST |
| ΔvapH° | 61.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.72; 8.98] | eV |
|
| IE | 8.98 | eV | NIST |
| IE | 8.72 | eV | NIST |
| log10WS | 1.07 | Aq. Solubility Prediction | |
| logPoct/wat | -0.821 | Crippen Calculated Property | |
| McVol | 76.320 | ml/mol | McGowan Calculated Property |
| Pc | [5420.00; 5800.00] | kPa |
|
| Pc | 5420.00 | kPa | Critical Point and Vapor Pressure Measurements for Four Compounds by a Low Residence Time Flow Method |
| Pc | 5800.00 ± 200.00 | kPa | NIST |
| ρc | 321.97 ± 24.98 | kg/m3 | NIST |
| Inp | [813.00; 870.00] |
|
|
| Inp | 813.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 852.00 | NIST | |
| I | [1386.00; 1440.00] |
|
|
| I | 1386.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1415.00 | NIST | |
| I | 1405.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1440.00 | NIST | |
| I | 1391.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1440.00 | NIST | |
| Tboil | [415.15; 419.20] | K |
|
| Tboil | 419.20 | K | NIST |
| Tboil | 418.15 ± 2.00 | K | NIST |
| Tboil | 415.15 ± 1.50 | K | NIST |
| Tc | 661.00 ± 2.00 | K | NIST |
| Tfus | [380.48; 384.55] | K |
|
| Tfus | 380.48 | K | Aq. Solubility Prediction |
| Tfus | 383.20 ± 0.60 | K | NIST |
| Tfus | 383.46 ± 0.30 | K | NIST |
| Tfus | 384.55 ± 0.20 | K | NIST |
| Ttriple | 384.60 ± 0.30 | K | NIST |
| Vc | 0.273 | m3/kmol | Relay (1.0) Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [316.52; 444.19] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49629e+01 | |||
| Coefficient B | -3.59933e+03 | |||
| Coefficient C | -7.12570e+01 | |||
| Temperature range, min. | 316.52 | |||
| Temperature range, max. | 444.19 | |||
| Pvap | 1.33 | kPa | 316.52 | Calculated Property |
| Pvap | 2.97 | kPa | 330.71 | Calculated Property |
| Pvap | 6.11 | kPa | 344.89 | Calculated Property |
| Pvap | 11.67 | kPa | 359.08 | Calculated Property |
| Pvap | 21.01 | kPa | 373.26 | Calculated Property |
| Pvap | 35.86 | kPa | 387.45 | Calculated Property |
| Pvap | 58.46 | kPa | 401.63 | Calculated Property |
| Pvap | 91.54 | kPa | 415.82 | Calculated Property |
| Pvap | 138.36 | kPa | 430.00 | Calculated Property |
| Pvap | 202.66 | kPa | 444.19 | Calculated Property |
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