- InChI
- InChI=1S/C5H3ClOS/c6-5(7)4-2-1-3-8-4/h1-3H
- InChI Key
- QIQITDHWZYEEPA-UHFFFAOYSA-N
- Formula
- C5H3ClOS
- SMILES
- O=C(Cl)c1cccs1
- Molecular Weight1
- 146.59
- CAS
- 5271-67-0
- Other Names
-
- Thiophene-2-carbonyl chloride
- «alpha»-Thenoyl chloride
- 2-Thenoyl chloride
- 2-Thienylcarbonyl chloride
- 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 | 0.3652 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -92.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.127 | Crippen Calculated Property | |
| McVol | 92.010 | ml/mol | McGowan Calculated Property |
| Pc | 4605.39 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 480.20 | K | NIST |
| Tc | 707.83 | K | Relay (1.0) Calculated Property |
| Tfus | 256.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiophenecarbonyl chloride.
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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