- InChI
- InChI=1S/C12H20S/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h8,10-11H,2-7,9H2,1H3
- InChI Key
- GIFWAJGKWIDXMY-UHFFFAOYSA-N
- Formula
- C12H20S
- SMILES
- CCCCCCCCc1cccs1
- Molecular Weight1
- 196.35
- CAS
- 880-36-4
- Other Names
-
- 2-Octylthiophene
- 2-n-Octylthiophene
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 65.40 ± 1.40 | kJ/mol | NIST |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 4.651 | Crippen Calculated Property | |
| McVol | 176.830 | ml/mol | McGowan Calculated Property |
| Inp | 1463.00 | NIST | |
| I | 1780.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [404.48; 561.92] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53338e+01 | |||
| Coefficient B | -4.72581e+03 | |||
| Coefficient C | -9.03940e+01 | |||
| Temperature range, min. | 404.48 | |||
| Temperature range, max. | 561.92 | |||
| Pvap | 1.33 | kPa | 404.48 | Calculated Property |
| Pvap | 2.95 | kPa | 421.97 | Calculated Property |
| Pvap | 6.02 | kPa | 439.47 | Calculated Property |
| Pvap | 11.49 | kPa | 456.96 | Calculated Property |
| Pvap | 20.68 | kPa | 474.45 | Calculated Property |
| Pvap | 35.34 | kPa | 491.95 | Calculated Property |
| Pvap | 57.76 | kPa | 509.44 | Calculated Property |
| Pvap | 90.76 | kPa | 526.93 | Calculated Property |
| Pvap | 137.73 | kPa | 544.43 | Calculated Property |
| Pvap | 202.65 | kPa | 561.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-octyl-.
Sources
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