- InChI
- InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
- InChI Key
- BZYUMXXOAYSFOW-UHFFFAOYSA-N
- Formula
- C6H8S
- SMILES
- Cc1ccsc1C
- Molecular Weight1
- 112.19
- CAS
- 632-16-6
- Other Names
-
- 2,3-Dimethylthiophene
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 2.365 | Crippen Calculated Property | |
| McVol | 92.290 | ml/mol | McGowan Calculated Property |
| Inp | [867.00; 898.00] |
|
|
| Inp | 893.00 | NIST | |
| Inp | Outlier 898.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 870.00 | NIST | |
| I | [1203.00; 1221.00] |
|
|
| I | 1203.00 | NIST | |
| I | 1207.00 | NIST | |
| I | 1212.00 | NIST | |
| I | 1221.00 | NIST | |
| I | 1218.00 | NIST | |
| I | 1212.00 | NIST | |
| I | 1203.00 | NIST | |
| Tboil | [413.70; 414.40] | K |
|
| Tboil | 413.70 ± 2.00 | K | NIST |
| Tboil | 414.40 ± 3.00 | K | NIST |
| Tfus | 224.20 ± 0.60 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 39.40 | kJ/mol | 413.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [304.87; 440.83] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43203e+01 | |||
| Coefficient B | -3.42135e+03 | |||
| Coefficient C | -6.10540e+01 | |||
| Temperature range, min. | 304.87 | |||
| Temperature range, max. | 440.83 | |||
| Pvap | 1.33 | kPa | 304.87 | Calculated Property |
| Pvap | 3.02 | kPa | 319.98 | Calculated Property |
| Pvap | 6.26 | kPa | 335.08 | Calculated Property |
| Pvap | 12.03 | kPa | 350.19 | Calculated Property |
| Pvap | 21.65 | kPa | 365.30 | Calculated Property |
| Pvap | 36.85 | kPa | 380.40 | Calculated Property |
| Pvap | 59.78 | kPa | 395.51 | Calculated Property |
| Pvap | 93.01 | kPa | 410.62 | Calculated Property |
| Pvap | 139.52 | kPa | 425.72 | Calculated Property |
| Pvap | 202.63 | kPa | 440.83 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2,3-dimethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.