- InChI
- InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)
- InChI Key
- VYTXLSQVYGNWLV-UHFFFAOYSA-N
- Formula
- C8H10O2S
- SMILES
- O=C(O)CCCc1cccs1
- Molecular Weight1
- 170.23
- CAS
- 4653-11-6
- Other Names
-
- «gamma»-(«alpha»-Thienyl)butyric acid
- 2-Thiophenebutanoic acid
- 2-Thiophenebutyric acid
- 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 | 0.7010 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -336.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.155 | Crippen Calculated Property | |
| McVol | 127.910 | ml/mol | McGowan Calculated Property |
| Pc | 3657.79 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 568.72 | K | Relay (1.0) Calculated Property |
| Tc | 775.42 | K | Relay (1.0) Calculated Property |
| Tfus | 341.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-(2-Thienyl)butyric acid.
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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