- InChI
- InChI=1S/C3H5Cl3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
- InChI Key
- WSOBLQNNNMEZAF-UHFFFAOYSA-N
- Formula
- C3H5Cl3O3S
- SMILES
- CS(=O)(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 227.49
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4554 | Relay (1.0) Calculated Property | |
| ΔfG° | -632.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 123.810 | ml/mol | McGowan Calculated Property |
| Pc | 4691.31 | kPa | Joback Calculated Property |
| Inp | [1280.00; 1280.00] |
|
|
| Inp | 1280.00 | NIST | |
| Inp | 1280.00 | NIST | |
| Tboil | 532.14 | K | Relay (1.0) Calculated Property |
| Tc | 722.71 | K | Relay (1.0) Calculated Property |
| Tfus | 354.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.75; 254.88] | J/mol×K | [447.30; 646.86] |
|
| Cp,gas | 215.75 | J/mol×K | 447.30 | Joback Calculated Property |
| Cp,gas | 223.31 | J/mol×K | 480.56 | Joback Calculated Property |
| Cp,gas | 230.45 | J/mol×K | 513.82 | Joback Calculated Property |
| Cp,gas | 237.18 | J/mol×K | 547.08 | Joback Calculated Property |
| Cp,gas | 243.49 | J/mol×K | 580.34 | Joback Calculated Property |
| Cp,gas | 249.39 | J/mol×K | 613.60 | Joback Calculated Property |
| Cp,gas | 254.88 | J/mol×K | 646.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methylsulfonic acid, 2,2,2-trichloroethyl ester.
Sources
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