| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3620 | KDB | |
| PAff | 811.50 | kJ/mol | NIST |
| BasG | 780.90 | kJ/mol | NIST |
| ΔcH°liquid | [-3632.30; -3632.30] | kJ/mol |
|
| ΔcH°liquid | -3632.30 ± 1.50 | kJ/mol | NIST |
| ΔcH°liquid | -3632.30 | kJ/mol | NIST |
| Cp,liquid | 166.41 | J/mol×K | Thermodynamics of mixtures involving some (benzene derivatives + benzonitrile) |
| μ | 3.50 | debye | KDB |
| EA | [0.26; 0.26] | eV |
|
| EA | 0.26 ± 0.10 | eV | NIST |
| EA | 0.26 ± 0.02 | eV | NIST |
| Tflash,oc | 348.15 | K | KDB |
| ΔfG° | 261.00 | kJ/mol | KDB |
| ΔfH°gas | [219.00; 219.00] | kJ/mol |
|
| ΔfH°gas | 219.00 | kJ/mol | KDB |
| ΔfH°gas | 219.00 | kJ/mol | NIST |
| ΔfH°gas | 219.00 | kJ/mol | NIST |
| ΔfH°liquid | [163.20; 163.20] | kJ/mol |
|
| ΔfH°liquid | 163.20 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | 163.20 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 9.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [55.48; 55.80] | kJ/mol |
|
| ΔvapH° | 55.48 | kJ/mol | NIST |
| ΔvapH° | 55.80 | kJ/mol | NIST |
| IE | [9.60; 10.13] | eV |
|
| IE | 9.73 ± 0.01 | eV | NIST |
| IE | 9.73 ± 0.00 | eV | NIST |
| IE | 9.60 | eV | NIST |
| IE | Outlier 10.13 ± 0.03 | eV | NIST |
| IE | 9.69 | eV | NIST |
| IE | 9.62 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | 9.77 | eV | NIST |
| IE | 9.71 ± 0.01 | eV | NIST |
| IE | 9.79 | eV | NIST |
| IE | 9.80 | eV | NIST |
| IE | 9.71 | eV | NIST |
| IE | 9.71 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | 9.72 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | Outlier 10.02 | eV | NIST |
| log10WS | [-1.00; -1.00] |
|
|
| log10WS | -1.00 | Aq. Solubility Prediction | |
| log10WS | -1.00 | Estimated Solubility | |
| logPoct/wat | 1.558 | Crippen Calculated Property | |
| McVol | 87.110 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 1 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | [4210.00; 4220.00] | kPa |
|
| Pc | 4210.00 | kPa | KDB |
| Pc | 4215.00 ± 4.00 | kPa | NIST |
| Pc | 4220.00 ± 101.32 | kPa | NIST |
| Pc | 4215.12 ± 151.99 | kPa | NIST |
| Pc | 4215.12 ± 151.99 | kPa | NIST |
| ρc | 313.18 ± 3.09 | kg/m3 | NIST |
| Inp | [150.10; 1003.00] |
|
|
| Inp | 953.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 937.30 | NIST | |
| Inp | 987.90 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 940.10 | NIST | |
| Inp | 983.40 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 989.90 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | Outlier 150.10 | NIST | |
| Inp | Outlier 150.40 | NIST | |
| Inp | Outlier 150.10 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1003.00 | NIST | |
| I | [1570.00; 1629.00] |
|
|
| I | 1583.00 | NIST | |
| I | Outlier 1629.00 | NIST | |
| I | 1591.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1614.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1583.00 | NIST | |
| S°liquid | [209.10; 209.10] | J/mol×K |
|
| S°liquid | 209.10 | J/mol×K | NIST |
| S°liquid | 209.10 | J/mol×K | NIST |
| S°liquid | 209.10 | J/mol×K | NIST |
| Tboil | [461.90; 464.50] | K |
|
| Tboil | 464.30 | K | KDB |
| Tboil | 462.70 | K | NIST |
| Tboil | 463.90 | K | NIST |
| Tboil | 464.00 | K | NIST |
| Tboil | 463.80 | K | NIST |
| Tboil | 464.15 ± 0.30 | K | NIST |
| Tboil | 463.85 ± 0.60 | K | NIST |
| Tboil | Outlier 461.90 ± 1.00 | K | NIST |
| Tboil | 464.10 ± 0.60 | K | NIST |
| Tboil | 464.00 ± 0.40 | K | NIST |
| Tboil | 464.30 ± 0.70 | K | NIST |
| Tboil | 464.25 ± 0.30 | K | NIST |
| Tboil | 464.50 ± 0.30 | K | NIST |
| Tboil | 464.45 ± 0.30 | K | NIST |
| Tboil | 463.85 ± 0.50 | K | NIST |
| Tc | [699.20; 705.25] | K |
|
| Tc | 699.40 | K | KDB |
| Tc | 699.40 ± 1.00 | K | NIST |
| Tc | 699.20 ± 3.00 | K | NIST |
| Tc | 701.25 ± 2.50 | K | NIST |
| Tc | 699.35 ± 2.50 | K | NIST |
| Tc | 700.45 ± 2.50 | K | NIST |
| Tc | Outlier 705.25 ± 2.50 | K | NIST |
| Tfus | [259.15; 286.15] | K |
|
| Tfus | 260.40 | K | KDB |
| Tfus | 260.22 | K | Aq. Solubility Prediction |
| Tfus | 260.00 | K | NIST |
| Tfus | Outlier 286.15 ± 1.00 | K | NIST |
| Tfus | 259.15 ± 0.00 | K | NIST |
| Tfus | 260.28 ± 0.25 | K | NIST |
| Tfus | 260.40 ± 0.15 | K | NIST |
| Tfus | 259.35 ± 0.50 | K | NIST |
| Tfus | 259.35 ± 0.40 | K | NIST |
| Tfus | 260.05 ± 0.30 | K | NIST |
| Ttriple | [260.33; 260.33] | K |
|
| Ttriple | 260.33 ± 0.02 | K | NIST |
| Ttriple | 260.33 ± 0.02 | K | NIST |
| Ttriple | 260.33 ± 0.02 | K | NIST |
| Ttriple | 260.33 ± 0.02 | K | NIST |
| Ttriple | 260.33 ± 0.02 | K | NIST |
| Ttriple | 260.33 ± 0.02 | K | NIST |
Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 342.00 | K | 1.30 | NIST |
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Isobaric coefficient of expansion, 1/K - Liquid |
| 278.15 | 5000.00 | 0.0008 |
| 278.15 | 10000.00 | 0.0008 |
| 278.15 | 15000.00 | 0.0008 |
| 278.15 | 20000.00 | 0.0008 |
| 278.15 | 25000.00 | 0.0008 |
| 278.15 | 30000.00 | 0.0008 |
| 278.15 | 35000.00 | 0.0008 |
| 278.15 | 40000.00 | 0.0008 |
| 278.15 | 45000.00 | 0.0008 |
| 278.15 | 50000.00 | 0.0008 |
| 288.15 | 5000.00 | 0.0008 |
| 288.15 | 10000.00 | 0.0008 |
| 288.15 | 15000.00 | 0.0008 |
| 288.15 | 20000.00 | 0.0008 |
| 288.15 | 25000.00 | 0.0008 |
| 288.15 | 30000.00 | 0.0008 |
| 288.15 | 35000.00 | 0.0008 |
| 288.15 | 40000.00 | 0.0008 |
| 288.15 | 45000.00 | 0.0008 |
| 288.15 | 50000.00 | 0.0008 |
| 298.15 | 5000.00 | 0.0008 |
| 298.15 | 10000.00 | 0.0008 |
| 298.15 | 15000.00 | 0.0008 |
| 298.15 | 20000.00 | 0.0008 |
| 298.15 | 25000.00 | 0.0008 |
| 298.15 | 30000.00 | 0.0008 |
| 298.15 | 35000.00 | 0.0008 |
| 298.15 | 40000.00 | 0.0008 |
| 298.15 | 45000.00 | 0.0008 |
| 298.15 | 50000.00 | 0.0007 |
| 308.15 | 5000.00 | 0.0009 |
| 308.15 | 10000.00 | 0.0008 |
| 308.15 | 15000.00 | 0.0008 |
| 308.15 | 20000.00 | 0.0008 |
| 308.15 | 25000.00 | 0.0008 |
| 308.15 | 30000.00 | 0.0008 |
| 308.15 | 35000.00 | 0.0008 |
| 308.15 | 40000.00 | 0.0008 |
| 308.15 | 45000.00 | 0.0008 |
| 308.15 | 50000.00 | 0.0007 |
| 318.15 | 5000.00 | 0.0009 |
| 318.15 | 10000.00 | 0.0008 |
| 318.15 | 15000.00 | 0.0008 |
| 318.15 | 20000.00 | 0.0008 |
| 318.15 | 25000.00 | 0.0008 |
| 318.15 | 30000.00 | 0.0008 |
| 318.15 | 35000.00 | 0.0008 |
| 318.15 | 40000.00 | 0.0008 |
| 318.15 | 45000.00 | 0.0008 |
| 318.15 | 50000.00 | 0.0007 |
| 328.15 | 5000.00 | 0.0009 |
| 328.15 | 10000.00 | 0.0008 |
| 328.15 | 15000.00 | 0.0008 |
| 328.15 | 20000.00 | 0.0008 |
| 328.15 | 25000.00 | 0.0008 |
| 328.15 | 30000.00 | 0.0008 |
| 328.15 | 35000.00 | 0.0008 |
| 328.15 | 40000.00 | 0.0008 |
| 328.15 | 45000.00 | 0.0008 |
| 328.15 | 50000.00 | 0.0007 |
| 338.15 | 5000.00 | 0.0009 |
| 338.15 | 10000.00 | 0.0008 |
| 338.15 | 15000.00 | 0.0008 |
| 338.15 | 20000.00 | 0.0008 |
| 338.15 | 25000.00 | 0.0008 |
| 338.15 | 30000.00 | 0.0008 |
| 338.15 | 35000.00 | 0.0008 |
| 338.15 | 40000.00 | 0.0008 |
| 338.15 | 45000.00 | 0.0007 |
| 338.15 | 50000.00 | 0.0007 |
| 348.15 | 5000.00 | 0.0009 |
| 348.15 | 10000.00 | 0.0008 |
| 348.15 | 15000.00 | 0.0008 |
| 348.15 | 20000.00 | 0.0008 |
| 348.15 | 25000.00 | 0.0008 |
| 348.15 | 30000.00 | 0.0008 |
| 348.15 | 35000.00 | 0.0008 |
| 348.15 | 40000.00 | 0.0008 |
| 348.15 | 45000.00 | 0.0007 |
| 348.15 | 50000.00 | 0.0007 |
| Reference | ||
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [341.12; 493.91] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49604e+01 | |||
| Coefficient B | -4.30561e+03 | |||
| Coefficient C | -4.76780e+01 | |||
| Temperature range, min. | 341.12 | |||
| Temperature range, max. | 493.91 | |||
| Pvap | 1.33 | kPa | 341.12 | Calculated Property |
| Pvap | 2.97 | kPa | 358.10 | Calculated Property |
| Pvap | 6.11 | kPa | 375.07 | Calculated Property |
| Pvap | 11.68 | kPa | 392.05 | Calculated Property |
| Pvap | 21.01 | kPa | 409.03 | Calculated Property |
| Pvap | 35.86 | kPa | 426.00 | Calculated Property |
| Pvap | 58.46 | kPa | 442.98 | Calculated Property |
| Pvap | 91.55 | kPa | 459.96 | Calculated Property |
| Pvap | 138.37 | kPa | 476.93 | Calculated Property |
| Pvap | 202.66 | kPa | 493.91 | Calculated Property |
Find more compounds similar to Benzonitrile.
Find more mixtures with Benzonitrile.
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