- InChI
- InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3
- InChI Key
- QARBMVPHQWIHKH-UHFFFAOYSA-N
- Formula
- CH3ClO2S
- SMILES
- CS(=O)(=O)Cl
- Molecular Weight1
- 114.55
- Other Names
-
- Chloro methyl sulfone
- Mesyl chloride
- Methanesulfonic acid chloride
- Methanesulfuryl chloride
- Methanesulphonyl chloride
- Methyl sulfochloride
- Methylsulfonyl chloride
- CH3SO2Cl
- NSC 15039
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -405.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [11.60; 11.74] | eV |
|
| IE | 11.60 | eV | NIST |
| IE | 11.60 | eV | NIST |
| IE | 11.74 | eV | NIST |
| logPoct/wat | 0.185 | Crippen Calculated Property | |
| McVol | 65.280 | ml/mol | McGowan Calculated Property |
| Inp | [742.00; 778.00] |
|
|
| Inp | 774.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 742.00 | NIST | |
| I | [1216.00; 1216.00] |
|
|
| I | 1216.00 | NIST | |
| I | 1216.00 | NIST | |
| Tboil | 421.35 | K | Relay (1.0) Calculated Property |
| Tfus | 314.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [86.11; 148.42] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.81100e+01 | |||
| Coefficient B | 1.39210e-01 | |||
| Coefficient C | 1.46000e-05 | |||
| Coefficient D | -5.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 86.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 96.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 106.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 116.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 124.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 132.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 138.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 143.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 146.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 148.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanesulfonyl chloride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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