- InChI
- InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
- InChI Key
- LLMLGZUZTFMXSA-UHFFFAOYSA-N
- Formula
- C6HCl5S
- SMILES
- Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
- Molecular Weight1
- 282.40
- CAS
- 133-49-3
- Other Names
-
- Pentachlorobenzenethiol
- Pentachlorothiophenol
- RPA 6
- Pentachlorthiofenol
- USAF B-51
- PCTP
- Akrochem Peptizer PTP
- Pentachlorthiophenol
- Benzenethiol, 2,3,4,5,6-pentachloro-
- NSC 5578
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 33.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 5.242 | Crippen Calculated Property | |
| McVol | 149.190 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Tboil | 638.27 | K | Joback Calculated Property |
| Tc | 911.22 | K | Joback Calculated Property |
| Tfus | 432.46 | K | Joback Calculated Property |
| Vc | 0.562 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.45; 256.90] | J/mol×K | [638.27; 911.22] | 
|
| Cp,gas | 232.45 | J/mol×K | 638.27 | Joback Calculated Property |
| Cp,gas | 237.53 | J/mol×K | 683.76 | Joback Calculated Property |
| Cp,gas | 242.19 | J/mol×K | 729.25 | Joback Calculated Property |
| Cp,gas | 246.46 | J/mol×K | 774.74 | Joback Calculated Property |
| Cp,gas | 250.32 | J/mol×K | 820.24 | Joback Calculated Property |
| Cp,gas | 253.80 | J/mol×K | 865.73 | Joback Calculated Property |
| Cp,gas | 256.90 | J/mol×K | 911.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenethiol, pentachloro-.
Sources
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