- InChI
- InChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3
- InChI Key
- FOTRKCAZUSJCQD-UHFFFAOYSA-N
- Formula
- C3H5NO2S
- SMILES
- CS(=O)(=O)CC#N
- Molecular Weight1
- 119.14
- CAS
- 2274-42-2
- Other Names
-
- Methylsulfonylacetonitrile
- Acetonitrile, (methylsulfonyl)-
- mesylacetonitrile
- 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).
- 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 | 0.4931 | Relay (1.0) Calculated Property | |
| ΔfG° | -360.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.29 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.445 | Crippen Calculated Property | |
| McVol | 82.600 | ml/mol | McGowan Calculated Property |
| Pc | 5281.57 | kPa | Joback Calculated Property |
| Tboil | 566.75 | K | Relay (1.0) Calculated Property |
| Tc | 763.47 | K | Relay (1.0) Calculated Property |
| Tfus | 426.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.303 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.13; 180.81] | J/mol×K | [417.90; 607.73] | 
|
| Cp,gas | 147.13 | J/mol×K | 417.90 | Joback Calculated Property |
| Cp,gas | 153.29 | J/mol×K | 449.54 | Joback Calculated Property |
| Cp,gas | 159.24 | J/mol×K | 481.18 | Joback Calculated Property |
| Cp,gas | 164.98 | J/mol×K | 512.82 | Joback Calculated Property |
| Cp,gas | 170.49 | J/mol×K | 544.46 | Joback Calculated Property |
| Cp,gas | 175.77 | J/mol×K | 576.09 | Joback Calculated Property |
| Cp,gas | 180.81 | J/mol×K | 607.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methanesulfonylacetonitrile.
Sources
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