- InChI
- InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
- InChI Key
- LGZZJTIUEJNNKV-UHFFFAOYSA-N
- Formula
- C7H3Cl5S
- SMILES
- CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
- Molecular Weight1
- 296.43
- CAS
- 1825-19-0
- Other Names
-
- Benzene, pentachloro(methylthio)-
- Methyl pentachlorophenyl sulfide
- Methylthiopentachlorobenzene
- Pentachloro(methylthio)benzene
- Pentachlorophenyl methyl sulfide
- Sulfide, methyl pentachlorophenyl
- Pctas
- 1,2,3,4,5-Pentachloro-6-(methylsulfanyl)benzene
- 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).
- 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 | 0.4784 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.675 | Crippen Calculated Property | |
| McVol | 163.280 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Tboil | 607.78 | K | Relay (1.0) Calculated Property |
| Tc | 863.87 | K | Relay (1.0) Calculated Property |
| Tfus | 414.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.27; 309.78] | J/mol×K | [667.07; 932.24] | 
|
| Cp,gas | 278.27 | J/mol×K | 667.07 | Joback Calculated Property |
| Cp,gas | 284.86 | J/mol×K | 711.27 | Joback Calculated Property |
| Cp,gas | 290.91 | J/mol×K | 755.46 | Joback Calculated Property |
| Cp,gas | 296.44 | J/mol×K | 799.66 | Joback Calculated Property |
| Cp,gas | 301.43 | J/mol×K | 843.85 | Joback Calculated Property |
| Cp,gas | 305.88 | J/mol×K | 888.05 | Joback Calculated Property |
| Cp,gas | 309.78 | J/mol×K | 932.24 | Joback Calculated Property |
Similar Compounds
![Benzene, 1-chloro-4-[(chloromethyl)thio]-.](data:image/png;base64,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)
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