- InChI
- InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
- InChI Key
- NOYVOSGVFSEKPR-UHFFFAOYSA-N
- Formula
- C9H14S
- SMILES
- CCCCCc1cccs1
- Molecular Weight1
- 154.27
- CAS
- 4861-58-9
- Other Names
-
- 1-methylbutylthiophene
- 2-Pentylthiophene
- 2-n-Amylthiophene
- 2-n-Pentylthiophene
- 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).
- 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).
- 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 | 0.4049 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -11.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.00 ± 1.20 | kJ/mol | NIST |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.481 | Crippen Calculated Property | |
| McVol | 134.560 | ml/mol | McGowan Calculated Property |
| Pc | 2713.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1141.00; 1176.00] |
|
|
| Inp | 1164.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1153.00 | NIST | |
| I | [1437.00; 1462.00] |
|
|
| I | 1438.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1452.00 | NIST | |
| I | 1437.00 | NIST | |
| I | 1440.00 | NIST | |
| I | 1460.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1456.00 | NIST | |
| I | 1462.00 | NIST | |
| Tboil | 474.80 | K | Relay (1.0) Calculated Property |
| Tc | 671.51 | K | Relay (1.0) Calculated Property |
| Tfus | 215.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [357.72; 504.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50163e+01 | |||
| Coefficient B | -4.17668e+03 | |||
| Coefficient C | -7.41450e+01 | |||
| Temperature range, min. | 357.72 | |||
| Temperature range, max. | 504.52 | |||
| Pvap | 1.33 | kPa | 357.72 | Calculated Property |
| Pvap | 2.97 | kPa | 374.03 | Calculated Property |
| Pvap | 6.09 | kPa | 390.34 | Calculated Property |
| Pvap | 11.65 | kPa | 406.65 | Calculated Property |
| Pvap | 20.96 | kPa | 422.96 | Calculated Property |
| Pvap | 35.78 | kPa | 439.28 | Calculated Property |
| Pvap | 58.36 | kPa | 455.59 | Calculated Property |
| Pvap | 91.43 | kPa | 471.90 | Calculated Property |
| Pvap | 138.27 | kPa | 488.21 | Calculated Property |
| Pvap | 202.66 | kPa | 504.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-pentyl-.
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
- Crippen Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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