- InChI
- InChI=1S/C6H8OS/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3
- InChI Key
- RULFUZCLYMDADI-UHFFFAOYSA-N
- Formula
- C6H8OS
- SMILES
- COc1ccc(C)s1
- Molecular Weight1
- 128.19
- CAS
- 31053-55-1
- 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).
- 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 | 0.3531 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -101.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 46.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 ± 0.05 | eV | NIST |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.065 | Crippen Calculated Property | |
| McVol | 98.160 | ml/mol | McGowan Calculated Property |
| Pc | 3936.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 439.64 | K | Relay (1.0) Calculated Property |
| Tc | 639.65 | K | Relay (1.0) Calculated Property |
| Tfus | 258.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.350 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-methoxy-5-methyl-.
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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