- InChI
- InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H
- InChI Key
- CQJDYPZUDYXHLM-UHFFFAOYSA-N
- Formula
- C6H5ClS
- SMILES
- Sc1cccc(Cl)c1
- Molecular Weight1
- 144.62
- CAS
- 2037-31-2
- Other Names
-
- Benzenethiol, m-chloro-
- m-Chlorobenzenethiol
- m-Chlorothiophenol
- 3-Chlorobenzenethiol
- 3-Chlorothiophenol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3024 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 62.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.629 | Crippen Calculated Property | |
| McVol | 100.230 | ml/mol | McGowan Calculated Property |
| Pc | 4749.69 | kPa | Joback Calculated Property |
| Tboil | 479.20 | K | NIST |
| Tc | 725.77 | K | Relay (1.0) Calculated Property |
| Tfus | 261.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.342 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.41; 211.34] | J/mol×K | [468.63; 720.14] | 
|
| Cp,gas | 165.41 | J/mol×K | 468.63 | Joback Calculated Property |
| Cp,gas | 174.66 | J/mol×K | 510.55 | Joback Calculated Property |
| Cp,gas | 183.22 | J/mol×K | 552.47 | Joback Calculated Property |
| Cp,gas | 191.14 | J/mol×K | 594.38 | Joback Calculated Property |
| Cp,gas | 198.44 | J/mol×K | 636.30 | Joback Calculated Property |
| Cp,gas | 205.16 | J/mol×K | 678.22 | Joback Calculated Property |
| Cp,gas | 211.34 | J/mol×K | 720.14 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.20 | K | 4.00 | NIST |
Similar Compounds
Find more compounds similar to Benzenethiol, 3-chloro-.
Sources
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