- InChI
- InChI=1S/C7H6Cl2O3S/c1-13(10,11)12-5-2-3-6(8)7(9)4-5/h2-4H,1H3
- InChI Key
- VSSFDMFYPXHKHF-UHFFFAOYSA-N
- Formula
- C7H6Cl2O3S
- SMILES
- CS(=O)(=O)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 241.09
- CAS
- 116401-62-8
- 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° | -496.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 2.332 | Crippen Calculated Property | |
| McVol | 144.170 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Tboil | 541.26 | K | Joback Calculated Property |
| Tc | 759.41 | K | Joback Calculated Property |
| Tfus | 340.74 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.02; 330.11] | J/mol×K | [541.26; 759.41] | 
|
| Cp,gas | 279.02 | J/mol×K | 541.26 | Joback Calculated Property |
| Cp,gas | 288.97 | J/mol×K | 577.62 | Joback Calculated Property |
| Cp,gas | 298.36 | J/mol×K | 613.98 | Joback Calculated Property |
| Cp,gas | 307.18 | J/mol×K | 650.34 | Joback Calculated Property |
| Cp,gas | 315.43 | J/mol×K | 686.69 | Joback Calculated Property |
| Cp,gas | 323.07 | J/mol×K | 723.05 | Joback Calculated Property |
| Cp,gas | 330.11 | J/mol×K | 759.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichlorophenyl methanesulfonate.
Sources
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