- InChI
- InChI=1S/C9H7ClN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H
- InChI Key
- LEKTXVRARNYCNV-UHFFFAOYSA-N
- Formula
- C9H7ClN2
- SMILES
- Clc1cccc(-n2ccnc2)c1
- Molecular Weight1
- 178.62
- CAS
- 51581-52-3
- Other Names
-
- 1-(m-Chlorophenyl)imidazole
- 1H-Imidazole, 1-(3-chlorophenyl)-
- 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 | 0.4124 | Relay (1.0) Calculated Property | |
| ΔfG° | 296.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 217.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.526 | Crippen Calculated Property | |
| McVol | 126.650 | ml/mol | McGowan Calculated Property |
| Pc | 4777.07 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 583.11 | K | Relay (1.0) Calculated Property |
| Tc | 842.23 | K | Relay (1.0) Calculated Property |
| Tfus | 314.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Imidazole, 1-(m-chlorophenyl)-.
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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