- InChI
- InChI=1S/C12H27NO2S/c1-4-6-7-8-9-10-11-12-13(5-2)16(3,14)15/h4-12H2,1-3H3
- InChI Key
- VVBKVSIUOPYGQW-UHFFFAOYSA-N
- Formula
- C12H27NO2S
- SMILES
- CCCCCCCCCN(CC)S(C)(=O)=O
- Molecular Weight1
- 249.41
- 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° | -307.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -676.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 3.018 | Crippen Calculated Property | |
| McVol | 218.010 | ml/mol | McGowan Calculated Property |
| Pc | 2034.55 | kPa | Joback Calculated Property |
| Inp | [2166.00; 2166.00] |
|
|
| Inp | 2166.00 | NIST | |
| Inp | 2166.00 | NIST | |
| Tboil | 534.18 | K | Joback Calculated Property |
| Tc | 692.33 | K | Joback Calculated Property |
| Tfus | 296.03 | K | Joback Calculated Property |
| Vc | 0.852 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.92; 626.58] | J/mol×K | [534.18; 692.33] |
|
| Cp,gas | 532.92 | J/mol×K | 534.18 | Joback Calculated Property |
| Cp,gas | 550.22 | J/mol×K | 560.54 | Joback Calculated Property |
| Cp,gas | 566.83 | J/mol×K | 586.90 | Joback Calculated Property |
| Cp,gas | 582.76 | J/mol×K | 613.26 | Joback Calculated Property |
| Cp,gas | 598.02 | J/mol×K | 639.62 | Joback Calculated Property |
| Cp,gas | 612.62 | J/mol×K | 665.97 | Joback Calculated Property |
| Cp,gas | 626.58 | J/mol×K | 692.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methylsulphonamide, N-ethyl-N-nonyl-.
Sources
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