- InChI
- InChI=1S/C7H5Cl3O3S/c1-14(11,12)13-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3
- InChI Key
- PNZISFJRKQOULX-UHFFFAOYSA-N
- Formula
- C7H5Cl3O3S
- SMILES
- CS(=O)(=O)Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 275.54
- 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).
- Inp : Non-polar retention indices.
- 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° | -517.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.47 | Crippen Calculated Property | |
| logPoct/wat | 2.985 | Crippen Calculated Property | |
| McVol | 156.410 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Inp | 1841.00 | NIST | |
| Tboil | 583.67 | K | Joback Calculated Property |
| Tc | 807.10 | K | Joback Calculated Property |
| Tfus | 383.18 | K | Joback Calculated Property |
| Vc | 0.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.73; 345.06] | J/mol×K | [583.67; 807.10] | 
|
| Cp,gas | 299.73 | J/mol×K | 583.67 | Joback Calculated Property |
| Cp,gas | 308.73 | J/mol×K | 620.91 | Joback Calculated Property |
| Cp,gas | 317.18 | J/mol×K | 658.15 | Joback Calculated Property |
| Cp,gas | 325.06 | J/mol×K | 695.38 | Joback Calculated Property |
| Cp,gas | 332.35 | J/mol×K | 732.62 | Joback Calculated Property |
| Cp,gas | 339.02 | J/mol×K | 769.86 | Joback Calculated Property |
| Cp,gas | 345.06 | J/mol×K | 807.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methylsulfonic acid, 2,4,5-trichlorophenyl ester.
Sources
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