| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2490 | KDB | |
| PAff | 799.80 | kJ/mol | NIST |
| BasG | 774.80 | kJ/mol | NIST |
| ΔfG° | 222.71 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 3889.86 | kJ/mol | KDB |
| Δc,netH | 3670.205 | kJ/mol | KDB |
| ΔfH°gas | 122.30 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 14.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.95; 10.52] | eV |
|
| IE | 10.03 ± 0.05 | eV | NIST |
| IE | 9.95 ± 0.05 | eV | NIST |
| IE | 10.07 ± 0.02 | eV | NIST |
| IE | 10.07 ± 0.01 | eV | NIST |
| IE | 10.52 ± 0.05 | eV | NIST |
| log10WS | [-2.36; -2.36] |
|
|
| log10WS | -2.36 | Aq. Solubility Prediction | |
| log10WS | -2.36 | Estimated Solubility | |
| logPoct/wat | 1.810 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3690.00 | kPa | KDB |
| Inp | [583.00; 612.00] |
|
|
| Inp | 587.30 | NIST | |
| Inp | 588.20 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 583.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 587.30 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | Outlier 610.00 | NIST | |
| Inp | Outlier 612.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | Outlier 611.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 587.30 | NIST | |
| Inp | 584.00 | NIST | |
| I | [827.00; 847.30] |
|
|
| I | 827.00 | NIST | |
| I | 837.00 | NIST | |
| I | 833.00 | NIST | |
| I | 847.30 | NIST | |
| I | 827.00 | NIST | |
| Tboil | [323.15; 345.15] | K |
|
| Tboil | 344.50 | K | KDB |
| Tboil | 345.00 ± 1.00 | K | NIST |
| Tboil | 344.50 | K | NIST |
| Tboil | 344.49 ± 0.30 | K | NIST |
| Tboil | 344.70 ± 1.00 | K | NIST |
| Tboil | 344.80 ± 0.40 | K | NIST |
| Tboil | 344.70 ± 1.00 | K | NIST |
| Tboil | 344.80 ± 0.30 | K | NIST |
| Tboil | 344.70 ± 1.50 | K | NIST |
| Tboil | 343.45 ± 1.00 | K | NIST |
| Tboil | 344.15 ± 1.50 | K | NIST |
| Tboil | 344.15 ± 1.50 | K | NIST |
| Tboil | 344.00 ± 1.00 | K | NIST |
| Tboil | 344.53 ± 0.30 | K | NIST |
| Tboil | 344.48 ± 0.20 | K | NIST |
| Tboil | 344.65 ± 1.00 | K | NIST |
| Tboil | 345.05 ± 0.50 | K | NIST |
| Tboil | 343.35 ± 0.70 | K | NIST |
| Tboil | 344.00 ± 2.00 | K | NIST |
| Tboil | 344.55 ± 0.30 | K | NIST |
| Tboil | 344.65 ± 1.50 | K | NIST |
| Tboil | 345.15 ± 1.50 | K | NIST |
| Tboil | 344.15 ± 1.50 | K | NIST |
| Tboil | Outlier 323.15 | K | NIST |
| Tboil | 344.15 ± 0.50 | K | NIST |
| Tboil | 344.15 ± 1.00 | K | NIST |
| Tboil | 343.40 ± 0.70 | K | NIST |
| Tboil | 343.65 ± 1.50 | K | NIST |
| Tboil | 343.65 ± 1.50 | K | NIST |
| Tboil | 344.65 ± 1.00 | K | NIST |
| Tboil | 344.65 ± 0.70 | K | NIST |
| Tboil | 344.50 ± 0.30 | K | NIST |
| Tboil | 344.52 ± 0.40 | K | NIST |
| Tboil | 344.65 ± 1.50 | K | NIST |
| Tboil | 343.65 ± 1.50 | K | NIST |
| Tboil | 344.40 ± 2.00 | K | NIST |
| Tc | 529.00 | K | KDB |
| Tfus | [140.75; 141.18] | K |
|
| Tfus | 141.00 | K | KDB |
| Tfus | 141.18 | K | Aq. Solubility Prediction |
| Tfus | 140.75 ± 0.40 | K | NIST |
| Tfus | 141.06 ± 0.10 | K | NIST |
| Tfus | 141.15 ± 1.50 | K | NIST |
| Vc | 0.334 | m3/kmol | KDB |
| Zc | 0.2797890 | KDB |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.91; 186.81] | J/mol×K | [326.80; 501.88] | |
| Cp,gas | 138.91 | J/mol×K | 326.80 | Joback Calculated Property |
| Cp,gas | 147.77 | J/mol×K | 355.98 | Joback Calculated Property |
| Cp,gas | 156.26 | J/mol×K | 385.16 | Joback Calculated Property |
| Cp,gas | 164.40 | J/mol×K | 414.34 | Joback Calculated Property |
| Cp,gas | 172.20 | J/mol×K | 443.52 | Joback Calculated Property |
| Cp,gas | 179.67 | J/mol×K | 472.70 | Joback Calculated Property |
| Cp,gas | 186.81 | J/mol×K | 501.88 | Joback Calculated Property |
| ΔvapH | [33.40; 34.20] | kJ/mol | [262.00; 328.00] | |
| ΔvapH | 34.20 | kJ/mol | 262.00 | NIST |
| ΔvapH | 33.50 | kJ/mol | 270.00 | NIST |
| ΔvapH | 33.40 | kJ/mol | 328.00 | NIST |
| Pvap | [2.72; 96.32] | kPa | [263.15; 343.15] | |
| Pvap | 2.72 | kPa | 263.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 4.89 | kPa | 273.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 8.36 | kPa | 283.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 13.67 | kPa | 293.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 17.22 | kPa | 298.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 21.50 | kPa | 303.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 32.65 | kPa | 313.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 48.09 | kPa | 323.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 68.90 | kPa | 333.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| Pvap | 96.32 | kPa | 343.15 | Thermodynamics of isomeric hexynes +MTBE binary mixtures |
| n0 | 1.39600 | 298.15 | KDB | |
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 285.70 | K | 10.00 | NIST |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [251.33; 367.45] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46089e+01 | |||
| Coefficient B | -3.07754e+03 | |||
| Coefficient C | -3.64370e+01 | |||
| Temperature range, min. | 251.33 | |||
| Temperature range, max. | 367.45 | |||
| Pvap | 1.33 | kPa | 251.33 | Calculated Property |
| Pvap | 3.00 | kPa | 264.23 | Calculated Property |
| Pvap | 6.19 | kPa | 277.13 | Calculated Property |
| Pvap | 11.86 | kPa | 290.04 | Calculated Property |
| Pvap | 21.35 | kPa | 302.94 | Calculated Property |
| Pvap | 36.39 | kPa | 315.84 | Calculated Property |
| Pvap | 59.17 | kPa | 328.74 | Calculated Property |
| Pvap | 92.35 | kPa | 341.65 | Calculated Property |
| Pvap | 139.00 | kPa | 354.55 | Calculated Property |
| Pvap | 202.67 | kPa | 367.45 | Calculated Property |
| Pvap | [3.99e-07; 3694.84] | kPa | [141.25; 516.20] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.50798e+01 | |||
| Coefficient B | -6.95750e+03 | |||
| Coefficient C | -1.22828e+01 | |||
| Coefficient D | 1.25260e-05 | |||
| Temperature range, min. | 141.25 | |||
| Temperature range, max. | 516.20 | |||
| Pvap | 3.99e-07 | kPa | 141.25 | Calculated Property |
| Pvap | 1.47e-03 | kPa | 182.91 | Calculated Property |
| Pvap | 0.17 | kPa | 224.57 | Calculated Property |
| Pvap | 3.47 | kPa | 266.23 | Calculated Property |
| Pvap | 26.92 | kPa | 307.89 | Calculated Property |
| Pvap | 117.94 | kPa | 349.56 | Calculated Property |
| Pvap | 362.61 | kPa | 391.22 | Calculated Property |
| Pvap | 890.72 | kPa | 432.88 | Calculated Property |
| Pvap | 1896.92 | kPa | 474.54 | Calculated Property |
| Pvap | 3694.84 | kPa | 516.20 | Calculated Property |
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