- InChI
- InChI=1S/CCl4O2S/c2-1(3,4)8(5,6)7
- InChI Key
- ZCPSWAFANXCCOT-UHFFFAOYSA-N
- Formula
- CCl4O2S
- SMILES
- O=S(=O)(Cl)C(Cl)(Cl)Cl
- Molecular Weight1
- 217.89
- CAS
- 2547-61-7
- Other Names
-
- Trichloromethanesulfonyl chloride
- Trichloromethylsulfonyl chloride
- Trichloromethanesulfenyl chloride
- Trichloromethanesulphonyl chloride
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -555.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.883 | Crippen Calculated Property | |
| McVol | 102.000 | ml/mol | McGowan Calculated Property |
| Pc | 6027.93 | kPa | Joback Calculated Property |
| Inp | [1024.00; 1035.00] |
|
|
| Inp | 1024.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Tboil | 416.55 | K | Joback Calculated Property |
| Tc | 629.11 | K | Joback Calculated Property |
| Tfus | 261.69 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.58; 166.72] | J/mol×K | [416.55; 629.11] |
|
| Cp,gas | 146.58 | J/mol×K | 416.55 | Joback Calculated Property |
| Cp,gas | 150.88 | J/mol×K | 451.98 | Joback Calculated Property |
| Cp,gas | 154.78 | J/mol×K | 487.40 | Joback Calculated Property |
| Cp,gas | 158.31 | J/mol×K | 522.83 | Joback Calculated Property |
| Cp,gas | 161.47 | J/mol×K | 558.26 | Joback Calculated Property |
| Cp,gas | 164.26 | J/mol×K | 593.69 | Joback Calculated Property |
| Cp,gas | 166.72 | J/mol×K | 629.11 | Joback Calculated Property |
| ΔfusH | 7.46 | kJ/mol | 418.50 | NIST |
Similar Compounds
Find more compounds similar to Methanesulfonyl chloride, trichloro-.
Sources
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