- InChI
- InChI=1S/C6H8OS/c1-5-2-3-8-6(5)4-7/h2-3,7H,4H2,1H3
- InChI Key
- UAQJEIWAMCLVTE-UHFFFAOYSA-N
- Formula
- C6H8OS
- SMILES
- Cc1ccsc1CO
- Molecular Weight1
- 128.19
- 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).
- 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 | 0.5669 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -133.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.549 | Crippen Calculated Property | |
| McVol | 98.160 | ml/mol | McGowan Calculated Property |
| Pc | 4385.94 | kPa | Relay (1.0-beta) Calculated Property |
| I | [2034.00; 2034.00] |
|
|
| I | 2034.00 | NIST | |
| I | 2034.00 | NIST | |
| Tboil | 494.65 | K | Relay (1.0) Calculated Property |
| Tc | 738.43 | K | Relay (1.0) Calculated Property |
| Tfus | 294.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Thieno[3,2-c]pyridine, 5-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-.](data:image/png;base64,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)
Find more compounds similar to 3-methyl-2-thiophenemethanol.
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
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