- InChI
- InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3
- InChI Key
- SLDBAXYJAIRQMX-UHFFFAOYSA-N
- Formula
- C6H8S
- SMILES
- CCc1ccsc1
- Molecular Weight1
- 112.19
- CAS
- 1795-01-3
- Other Names
-
- 3-Ethylthiophene
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| log10WS | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 2.310 | Crippen Calculated Property | |
| McVol | 92.290 | ml/mol | McGowan Calculated Property |
| Inp | [850.00; 872.00] |
|
|
| Inp | 866.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 872.00 | NIST | |
| I | [1209.00; 1211.00] |
|
|
| I | 1209.00 | NIST | |
| I | 1211.00 | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 40.70 | kJ/mol | 395.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [300.71; 435.16] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43065e+01 | |||
| Coefficient B | -3.37467e+03 | |||
| Coefficient C | -5.99900e+01 | |||
| Temperature range, min. | 300.71 | |||
| Temperature range, max. | 435.16 | |||
| Pvap | 1.33 | kPa | 300.71 | Calculated Property |
| Pvap | 3.02 | kPa | 315.65 | Calculated Property |
| Pvap | 6.27 | kPa | 330.59 | Calculated Property |
| Pvap | 12.03 | kPa | 345.53 | Calculated Property |
| Pvap | 21.66 | kPa | 360.47 | Calculated Property |
| Pvap | 36.87 | kPa | 375.40 | Calculated Property |
| Pvap | 59.81 | kPa | 390.34 | Calculated Property |
| Pvap | 93.05 | kPa | 405.28 | Calculated Property |
| Pvap | 139.55 | kPa | 420.22 | Calculated Property |
| Pvap | 202.64 | kPa | 435.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 3-ethyl-.
Sources
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