- InChI
- InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2
- InChI Key
- VMJOFTHFJMLIKL-UHFFFAOYSA-N
- Formula
- C6H8OS
- SMILES
- OCCc1cccs1
- Molecular Weight1
- 128.19
- CAS
- 5402-55-1
- Other Names
-
- 2-(2-Thienyl)ethanol
- 2-(2-Hydroxyethyl)thiophene
- Thiophene-2-ethanol
- Thiopheneethanol
- Ethanol, 2-(2-thienyl)-
- thiophen-2-ethanol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5878 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -115.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.283 | Crippen Calculated Property | |
| McVol | 98.160 | ml/mol | McGowan Calculated Property |
| Pc | 4521.17 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 506.15 | K | Relay (1.0) Calculated Property |
| Tc | 744.74 | K | Relay (1.0) Calculated Property |
| Tfus | 260.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 381.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Thiopheneethanol.
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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