- InChI
- InChI=1S/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
- InChI Key
- QIULLHZMZMGGFH-UHFFFAOYSA-N
- Formula
- C6H4Cl2S
- SMILES
- Sc1cc(Cl)ccc1Cl
- Molecular Weight1
- 179.07
- CAS
- 5858-18-4
- Other Names
-
- Thiophenol, 2,5-dichloro-
- 2,5-Dichlorobenzenethiol
- 2,5-Dichlorothiophenol
- 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 | 0.3521 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.282 | Crippen Calculated Property | |
| McVol | 112.470 | ml/mol | McGowan Calculated Property |
| Pc | 4426.72 | kPa | Joback Calculated Property |
| Tboil | 508.47 | K | Relay (1.0) Calculated Property |
| Tc | 762.65 | K | Relay (1.0) Calculated Property |
| Tfus | 302.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.08; 224.97] | J/mol×K | [511.04; 769.63] | 
|
| Cp,gas | 185.08 | J/mol×K | 511.04 | Joback Calculated Property |
| Cp,gas | 193.15 | J/mol×K | 554.14 | Joback Calculated Property |
| Cp,gas | 200.62 | J/mol×K | 597.24 | Joback Calculated Property |
| Cp,gas | 207.51 | J/mol×K | 640.34 | Joback Calculated Property |
| Cp,gas | 213.84 | J/mol×K | 683.44 | Joback Calculated Property |
| Cp,gas | 219.66 | J/mol×K | 726.54 | Joback Calculated Property |
| Cp,gas | 224.97 | J/mol×K | 769.63 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 387.20 | K | 6.70 | NIST |
Similar Compounds
Find more compounds similar to Benzenethiol, 2,5-dichloro-.
Sources
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