- InChI
- InChI=1S/C8H10OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8-9H,3-4H2
- InChI Key
- PEZSCBMHDXNXQL-UHFFFAOYSA-N
- Formula
- C8H10OS
- SMILES
- OC(c1cccs1)C1CC1
- Molecular Weight1
- 154.23
- CAS
- 60942-21-4
- Other Names
-
- «alpha»-cyclopropylthiophene-2-methanol
- 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 | 0.5316 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -74.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.192 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3655.22 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 510.49 | K | Relay (1.0) Calculated Property |
| Tc | 753.83 | K | Relay (1.0) Calculated Property |
| Tfus | 345.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Alpha-cyclopropyl-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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