- InChI
- InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
- InChI Key
- WQYWXQCOYRZFAV-UHFFFAOYSA-N
- Formula
- C12H20S
- SMILES
- CCCCCCCCc1ccsc1
- Molecular Weight1
- 196.35
- CAS
- 65016-62-8
- 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).
- 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 | 0.5606 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -71.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.60 ± 1.50 | kJ/mol | NIST |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.651 | Crippen Calculated Property | |
| McVol | 176.830 | ml/mol | McGowan Calculated Property |
| Pc | 2170.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 535.63 | K | Relay (1.0) Calculated Property |
| Tc | 731.11 | K | Relay (1.0) Calculated Property |
| Tfus | 233.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [406.08; 561.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55067e+01 | |||
| Coefficient B | -4.79599e+03 | |||
| Coefficient C | -9.09500e+01 | |||
| Temperature range, min. | 406.08 | |||
| Temperature range, max. | 561.37 | |||
| Pvap | 1.33 | kPa | 406.08 | Calculated Property |
| Pvap | 2.94 | kPa | 423.33 | Calculated Property |
| Pvap | 5.99 | kPa | 440.59 | Calculated Property |
| Pvap | 11.41 | kPa | 457.84 | Calculated Property |
| Pvap | 20.53 | kPa | 475.10 | Calculated Property |
| Pvap | 35.11 | kPa | 492.35 | Calculated Property |
| Pvap | 57.46 | kPa | 509.61 | Calculated Property |
| Pvap | 90.42 | kPa | 526.86 | Calculated Property |
| Pvap | 137.47 | kPa | 544.12 | Calculated Property |
| Pvap | 202.67 | kPa | 561.37 | Calculated Property |
Similar Compounds
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)
Find more compounds similar to 3-Octylthiophene.
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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