- InChI
- InChI=1S/C8H9ClOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5H2
- InChI Key
- NPFQPHILVMHTKP-UHFFFAOYSA-N
- Formula
- C8H9ClOS
- SMILES
- O=C(CCCCl)c1cccs1
- Molecular Weight1
- 188.67
- CAS
- 43076-59-1
- Other Names
-
- 1-Butanone, 4-chloro-1-(2-thienyl)-
- 4-Chloro-1-(2-thienyl)butan-1-one
- 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 | 0.4823 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -156.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.950 | Crippen Calculated Property | |
| McVol | 134.280 | ml/mol | McGowan Calculated Property |
| Pc | 3288.49 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 538.68 | K | Relay (1.0) Calculated Property |
| Tc | 760.99 | K | Relay (1.0) Calculated Property |
| Tfus | 292.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-Chloro-2-butyrothienone.
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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