- InChI
- InChI=1S/C6H15NO2S/c1-4-6-7(5-2)10(3,8)9/h4-6H2,1-3H3
- InChI Key
- QLFWVEHQNOBTCP-UHFFFAOYSA-N
- Formula
- C6H15NO2S
- SMILES
- CCCN(CC)S(C)(=O)=O
- Molecular Weight1
- 165.25
- 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° | -358.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.63 | kJ/mol | Joback Calculated Property |
| log10WS | -0.73 | Crippen Calculated Property | |
| logPoct/wat | 0.678 | Crippen Calculated Property | |
| McVol | 133.470 | ml/mol | McGowan Calculated Property |
| Pc | 3713.49 | kPa | Joback Calculated Property |
| Inp | [1385.00; 1385.00] |
|
|
| Inp | 1385.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Tboil | 396.90 | K | Joback Calculated Property |
| Tc | 558.65 | K | Joback Calculated Property |
| Tfus | 228.41 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.33; 325.44] | J/mol×K | [396.90; 558.65] |
|
| Cp,gas | 257.33 | J/mol×K | 396.90 | Joback Calculated Property |
| Cp,gas | 269.78 | J/mol×K | 423.86 | Joback Calculated Property |
| Cp,gas | 281.79 | J/mol×K | 450.82 | Joback Calculated Property |
| Cp,gas | 293.35 | J/mol×K | 477.77 | Joback Calculated Property |
| Cp,gas | 304.48 | J/mol×K | 504.73 | Joback Calculated Property |
| Cp,gas | 315.18 | J/mol×K | 531.69 | Joback Calculated Property |
| Cp,gas | 325.44 | J/mol×K | 558.65 | Joback Calculated Property |
Similar Compounds
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Sources
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