- InChI
- InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
- InChI Key
- JCCCMAAJYSNBPR-UHFFFAOYSA-N
- Formula
- C6H8S
- SMILES
- CCc1cccs1
- Molecular Weight1
- 112.19
- CAS
- 872-55-9
- Other Names
-
- 2-Ethylthiophene
- 2-Ethylthiophenol
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2652 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 45.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 39.70 ± 0.90 | kJ/mol | NIST |
| IE | [8.57; 8.80] | eV |
|
| IE | 8.57 | eV | NIST |
| IE | 8.67 ± 0.05 | eV | NIST |
| IE | 8.80 ± 0.20 | eV | NIST |
| log10WS | -2.59 | Aq. Solubility Prediction | |
| logPoct/wat | 2.310 | Crippen Calculated Property | |
| McVol | 92.290 | ml/mol | McGowan Calculated Property |
| Pc | 3770.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [837.00; 905.00] |
|
|
| Inp | Outlier 905.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | Outlier 905.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 851.00 | NIST | |
| I | [1161.00; 1191.00] |
|
|
| I | 1172.00 | NIST | |
| I | 1177.00 | NIST | |
| I | 1177.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1161.00 | NIST | |
| I | 1162.00 | NIST | |
| I | 1179.00 | NIST | |
| I | 1170.00 | NIST | |
| I | 1170.00 | NIST | |
| I | 1191.00 | NIST | |
| I | 1185.00 | NIST | |
| I | 1183.00 | NIST | |
| I | 1162.00 | NIST | |
| I | 1173.00 | NIST | |
| I | 1180.00 | NIST | |
| I | 1182.00 | NIST | |
| I | 1180.00 | NIST | |
| I | 1182.00 | NIST | |
| I | 1179.00 | NIST | |
| Tboil | [406.15; 407.20] | K |
|
| Tboil | 407.15 | K | Isobaric vapor-liquid equilibrium for binary systemof 2-ethylthiophene + n-octane at 101.33 kPa |
| Tboil | 407.14 | K | Phase equilibria of three binary systems containing 2,5-dimethylthiophene and 2-ethylthiophene in hydrocarbons |
| Tboil | 407.20 | K | NIST |
| Tboil | 406.15 ± 2.00 | K | NIST |
| Tboil | 407.00 ± 4.00 | K | NIST |
| Tc | 603.74 | K | Relay (1.0) Calculated Property |
| Tfus | 186.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 39.70 | kJ/mol | 353.50 | NIST |
| Pvap | [33.26; 111.40] | kPa | [373.10; 413.15] |
|
| Pvap | 33.26 | kPa | 373.10 | Phase Equilibria on Four Binary Systems: 1,2-Dichloroethane + trans-1,2-Dichloroethylene, 1-Octene + 2-Methyl Thiophene, 2-Ethyl Thiophene + 2,2,4-Trimethylpentane, and Cyclopropanecarbonitrile + Water |
| Pvap | 101.33 | kPa | 407.14 | Phase equilibria of three binary systems containing 2,5-dimethylthiophene and 2-ethylthiophene in hydrocarbons |
| Pvap | 101.33 | kPa | 407.15 | Isobaric vapor-liquid equilibrium for binary systemof 2-ethylthiophene + n-octane at 101.33 kPa |
| Pvap | 111.40 | kPa | 413.15 | Phase Equilibria on Four Binary Systems: 1,2-Dichloroethane + trans-1,2-Dichloroethylene, 1-Octene + 2-Methyl Thiophene, 2-Ethyl Thiophene + 2,2,4-Trimethylpentane, and Cyclopropanecarbonitrile + Water |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 283.15 | 100.00 | 1003.44 |
| 288.15 | 100.00 | 998.47 |
| 293.15 | 100.00 | 993.45 |
| 298.15 | 100.00 | 988.39 |
| 303.15 | 100.00 | 983.42 |
| 308.15 | 100.00 | 978.38 |
| 313.15 | 100.00 | 973.34 |
| 318.15 | 100.00 | 968.32 |
| 323.15 | 100.00 | 963.21 |
| 328.15 | 100.00 | 958.12 |
| 333.15 | 100.00 | 952.99 |
| 338.15 | 100.00 | 947.86 |
| 283.15 | 2000.00 | 1004.84 |
| 288.15 | 2000.00 | 999.91 |
| 293.15 | 2000.00 | 994.92 |
| 298.15 | 2000.00 | 989.91 |
| 303.15 | 2000.00 | 984.97 |
| 308.15 | 2000.00 | 979.99 |
| 313.15 | 2000.00 | 975.0 |
| 318.15 | 2000.00 | 970.02 |
| 323.15 | 2000.00 | 964.97 |
| 328.15 | 2000.00 | 959.94 |
| 333.15 | 2000.00 | 954.85 |
| 338.15 | 2000.00 | 949.78 |
| 283.15 | 5000.00 | 1007.0 |
| 288.15 | 5000.00 | 1002.13 |
| 293.15 | 5000.00 | 997.2 |
| 298.15 | 5000.00 | 992.26 |
| 303.15 | 5000.00 | 987.39 |
| 308.15 | 5000.00 | 982.48 |
| 313.15 | 5000.00 | 977.54 |
| 318.15 | 5000.00 | 972.64 |
| 323.15 | 5000.00 | 967.69 |
| 328.15 | 5000.00 | 962.71 |
| 333.15 | 5000.00 | 957.72 |
| 338.15 | 5000.00 | 952.72 |
| 283.15 | 7000.00 | 1008.42 |
| 288.15 | 7000.00 | 1003.59 |
| 293.15 | 7000.00 | 998.7 |
| 298.15 | 7000.00 | 993.8 |
| 303.15 | 7000.00 | 988.98 |
| 308.15 | 7000.00 | 984.11 |
| 313.15 | 7000.00 | 979.22 |
| 318.15 | 7000.00 | 974.36 |
| 323.15 | 7000.00 | 969.44 |
| 328.15 | 7000.00 | 964.53 |
| 333.15 | 7000.00 | 959.58 |
| 338.15 | 7000.00 | 954.65 |
| 283.15 | 10000.00 | 1010.51 |
| 288.15 | 10000.00 | 1005.73 |
| 293.15 | 10000.00 | 1000.9 |
| 298.15 | 10000.00 | 996.05 |
| 303.15 | 10000.00 | 991.3 |
| 308.15 | 10000.00 | 986.49 |
| 313.15 | 10000.00 | 981.68 |
| 318.15 | 10000.00 | 976.86 |
| 323.15 | 10000.00 | 972.03 |
| 328.15 | 10000.00 | 967.18 |
| 333.15 | 10000.00 | 962.31 |
| 338.15 | 10000.00 | 957.46 |
| 283.15 | 15000.00 | 1013.9 |
| 288.15 | 15000.00 | 1009.2 |
| 293.15 | 15000.00 | 1004.46 |
| 298.15 | 15000.00 | 999.7 |
| 303.15 | 15000.00 | 995.04 |
| 308.15 | 15000.00 | 990.33 |
| 313.15 | 15000.00 | 985.61 |
| 318.15 | 15000.00 | 980.93 |
| 323.15 | 15000.00 | 976.2 |
| 328.15 | 15000.00 | 971.45 |
| 333.15 | 15000.00 | 966.72 |
| 338.15 | 15000.00 | 961.97 |
| 283.15 | 20000.00 | 1017.18 |
| 288.15 | 20000.00 | 1012.57 |
| 293.15 | 20000.00 | 1007.92 |
| 298.15 | 20000.00 | 1003.24 |
| 303.15 | 20000.00 | 998.67 |
| 308.15 | 20000.00 | 994.05 |
| 313.15 | 20000.00 | 989.42 |
| 318.15 | 20000.00 | 984.83 |
| 323.15 | 20000.00 | 980.22 |
| 328.15 | 20000.00 | 975.56 |
| 333.15 | 20000.00 | 970.93 |
| 338.15 | 20000.00 | 966.32 |
| 283.15 | 25000.00 | 1020.37 |
| 288.15 | 25000.00 | 1015.82 |
| 293.15 | 25000.00 | 1011.25 |
| 298.15 | 25000.00 | 1006.67 |
| 303.15 | 25000.00 | 1002.17 |
| 308.15 | 25000.00 | 997.63 |
| 313.15 | 25000.00 | 993.09 |
| 318.15 | 25000.00 | 988.58 |
| 323.15 | 25000.00 | 984.06 |
| 328.15 | 25000.00 | 979.5 |
| 333.15 | 25000.00 | 974.97 |
| 338.15 | 25000.00 | 970.44 |
| 283.15 | 30000.00 | 1023.45 |
| 288.15 | 30000.00 | 1018.97 |
| 293.15 | 30000.00 | 1014.49 |
| 298.15 | 30000.00 | 1009.97 |
| 303.15 | 30000.00 | 1005.54 |
| 308.15 | 30000.00 | 1001.09 |
| 313.15 | 30000.00 | 996.63 |
| 318.15 | 30000.00 | 992.22 |
| 323.15 | 30000.00 | 987.78 |
| 328.15 | 30000.00 | 983.31 |
| 333.15 | 30000.00 | 978.86 |
| 338.15 | 30000.00 | 974.41 |
| 283.15 | 35000.00 | 1026.45 |
| 288.15 | 35000.00 | 1022.04 |
| 293.15 | 35000.00 | 1017.62 |
| 298.15 | 35000.00 | 1013.18 |
| 303.15 | 35000.00 | 1008.81 |
| 308.15 | 35000.00 | 1004.45 |
| 313.15 | 35000.00 | 1000.06 |
| 318.15 | 35000.00 | 995.71 |
| 323.15 | 35000.00 | 991.35 |
| 328.15 | 35000.00 | 986.98 |
| 333.15 | 35000.00 | 982.61 |
| 338.15 | 35000.00 | 978.26 |
| 283.15 | 40000.00 | 1029.36 |
| 288.15 | 40000.00 | 1025.03 |
| 293.15 | 40000.00 | 1020.67 |
| 298.15 | 40000.00 | 1016.3 |
| 303.15 | 40000.00 | 1012.0 |
| 308.15 | 40000.00 | 1007.68 |
| 313.15 | 40000.00 | 1003.38 |
| 318.15 | 40000.00 | 999.11 |
| 323.15 | 40000.00 | 994.81 |
| 328.15 | 40000.00 | 990.51 |
| 333.15 | 40000.00 | 986.22 |
| 338.15 | 40000.00 | 981.96 |
| 283.15 | 45000.00 | 1032.2 |
| 288.15 | 45000.00 | 1027.9 |
| 293.15 | 45000.00 | 1023.61 |
| 298.15 | 45000.00 | 1019.31 |
| 303.15 | 45000.00 | 1015.07 |
| 308.15 | 45000.00 | 1010.84 |
| 313.15 | 45000.00 | 1006.6 |
| 318.15 | 45000.00 | 1002.39 |
| 323.15 | 45000.00 | 998.17 |
| 328.15 | 45000.00 | 993.94 |
| 333.15 | 45000.00 | 989.73 |
| 338.15 | 45000.00 | 985.53 |
| 283.15 | 50000.00 | 1034.96 |
| 288.15 | 50000.00 | 1030.72 |
| 293.15 | 50000.00 | 1026.49 |
| 298.15 | 50000.00 | 1022.24 |
| 303.15 | 50000.00 | 1018.07 |
| 308.15 | 50000.00 | 1013.88 |
| 313.15 | 50000.00 | 1009.71 |
| 318.15 | 50000.00 | 1005.57 |
| 323.15 | 50000.00 | 1001.41 |
| 328.15 | 50000.00 | 997.24 |
| 333.15 | 50000.00 | 993.09 |
| 338.15 | 50000.00 | 988.98 |
| 283.15 | 55000.00 | 1037.65 |
| 288.15 | 55000.00 | 1033.47 |
| 293.15 | 55000.00 | 1029.29 |
| 298.15 | 55000.00 | 1025.1 |
| 303.15 | 55000.00 | 1020.99 |
| 308.15 | 55000.00 | 1016.86 |
| 313.15 | 55000.00 | 1012.75 |
| 318.15 | 55000.00 | 1008.66 |
| 323.15 | 55000.00 | 1004.56 |
| 328.15 | 55000.00 | 1000.47 |
| 333.15 | 55000.00 | 996.39 |
| 338.15 | 55000.00 | 992.31 |
| 283.15 | 60000.00 | 1040.28 |
| 288.15 | 60000.00 | 1036.14 |
| 293.15 | 60000.00 | 1032.01 |
| 298.15 | 60000.00 | 1027.87 |
| 303.15 | 60000.00 | 1023.81 |
| 308.15 | 60000.00 | 1019.74 |
| 313.15 | 60000.00 | 1015.69 |
| 318.15 | 60000.00 | 1011.66 |
| 323.15 | 60000.00 | 1007.62 |
| 328.15 | 60000.00 | 1003.58 |
| 333.15 | 60000.00 | 999.56 |
| 338.15 | 60000.00 | 995.56 |
| 283.15 | 65000.00 | 1042.84 |
| 288.15 | 65000.00 | 1038.73 |
| 293.15 | 65000.00 | 1034.65 |
| 298.15 | 65000.00 | 1030.59 |
| 303.15 | 65000.00 | 1026.56 |
| 308.15 | 65000.00 | 1022.56 |
| 313.15 | 65000.00 | 1018.54 |
| 318.15 | 65000.00 | 1014.56 |
| 323.15 | 65000.00 | 1010.59 |
| 328.15 | 65000.00 | 1006.6 |
| 333.15 | 65000.00 | 1002.62 |
| 338.15 | 65000.00 | 998.71 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [299.23; 434.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42303e+01 | |||
| Coefficient B | -3.34101e+03 | |||
| Coefficient C | -5.96100e+01 | |||
| Temperature range, min. | 299.23 | |||
| Temperature range, max. | 434.21 | |||
| Pvap | 1.33 | kPa | 299.23 | Calculated Property |
| Pvap | 3.03 | kPa | 314.23 | Calculated Property |
| Pvap | 6.29 | kPa | 329.23 | Calculated Property |
| Pvap | 12.08 | kPa | 344.22 | Calculated Property |
| Pvap | 21.74 | kPa | 359.22 | Calculated Property |
| Pvap | 36.99 | kPa | 374.22 | Calculated Property |
| Pvap | 59.97 | kPa | 389.22 | Calculated Property |
| Pvap | 93.23 | kPa | 404.21 | Calculated Property |
| Pvap | 139.69 | kPa | 419.21 | Calculated Property |
| Pvap | 202.63 | kPa | 434.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-ethyl-.
Mixtures
- Octane + Thiophene, 2-ethyl-
- Decane + Thiophene, 2-ethyl-
- Thiophene, 2-ethyl- + Mesitylene
- Thiophene, 2-ethyl- + Pentane, 2,2,4-trimethyl-
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Isobaric vapor-liquid equilibrium for binary systemof 2-ethylthiophene + n-octane at 101.33 kPa
- Phase equilibria of three binary systems containing 2,5-dimethylthiophene and 2-ethylthiophene in hydrocarbons
- Comparative Study of the Thermophysical Properties of 2-Ethylthiophene and 2-Ethylfuran
- Phase Equilibria on Four Binary Systems: 1,2-Dichloroethane + trans-1,2-Dichloroethylene, 1-Octene + 2-Methyl Thiophene, 2-Ethyl Thiophene + 2,2,4-Trimethylpentane, and Cyclopropanecarbonitrile + Water
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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