![Benzene, 1-chloro-4-[(chloromethyl)thio]-](/cid/18-100-0/Benzene-1-chloro-4-chloromethyl-thio.png "Benzene, 1-chloro-4-[(chloromethyl)thio]-")
- InChI
- InChI=1S/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2
- InChI Key
- XPJUCMIJGVAEGF-UHFFFAOYSA-N
- Formula
- C7H6Cl2S
- SMILES
- ClCSc1ccc(Cl)cc1
- Molecular Weight1
- 193.09
- CAS
- 7205-90-5
- Other Names
-
- Sulfide, chloromethyl p-chlorophenyl
- (p-Chlorophenylthio)methyl chloride
- (4-Chlorophenyl)thiomethyl chloride
- p-Chloro-S-chloromethylbenzenethiol
- Chloromethyl p-chlorophenyl sulfide
- Chloromethyl 4-chlorophenyl sulfide
- Thiophenol, p-chloro-S-chloromethyl
- p-Chlorfenyl-chlormethylsulfid
- p-Chlorfenylmerkaptomethylchlorid
- 1-Chloro-4-(chloromethylthio)benzene
- p-Chlorophenyl chloromethyl sulfide
- chloromethyl 4-chlorophenyl sulphide
- 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 | 0.3325 | Relay (1.0) Calculated Property | |
| ΔfG° | 120.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 32.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.628 | Crippen Calculated Property | |
| McVol | 126.560 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Tboil | 538.89 | K | Relay (1.0) Calculated Property |
| Tc | 753.76 | K | Relay (1.0) Calculated Property |
| Tfus | 318.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.87; 277.34] | J/mol×K | [534.86; 786.07] | 
|
| Cp,gas | 227.87 | J/mol×K | 534.86 | Joback Calculated Property |
| Cp,gas | 237.89 | J/mol×K | 576.73 | Joback Calculated Property |
| Cp,gas | 247.16 | J/mol×K | 618.60 | Joback Calculated Property |
| Cp,gas | 255.71 | J/mol×K | 660.46 | Joback Calculated Property |
| Cp,gas | 263.58 | J/mol×K | 702.33 | Joback Calculated Property |
| Cp,gas | 270.78 | J/mol×K | 744.20 | Joback Calculated Property |
| Cp,gas | 277.34 | J/mol×K | 786.07 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 401.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-[(chloromethyl)thio]-.
Sources
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