- InChI
- InChI=1S/C7H17NO2S/c1-5-8(6-7(2)3)11(4,9)10/h7H,5-6H2,1-4H3
- InChI Key
- VKAUPUOOPOJGEW-UHFFFAOYSA-N
- Formula
- C7H17NO2S
- SMILES
- CCN(CC(C)C)S(C)(=O)=O
- Molecular Weight1
- 179.28
- 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° | -352.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.47 | kJ/mol | Joback Calculated Property |
| log10WS | -0.90 | Crippen Calculated Property | |
| logPoct/wat | 0.924 | Crippen Calculated Property | |
| McVol | 147.560 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Inp | [1446.00; 1446.00] |
|
|
| Inp | 1446.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Tboil | 419.34 | K | Joback Calculated Property |
| Tc | 584.12 | K | Joback Calculated Property |
| Tfus | 224.68 | K | Joback Calculated Property |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.17; 373.73] | J/mol×K | [419.34; 584.12] |
|
| Cp,gas | 298.17 | J/mol×K | 419.34 | Joback Calculated Property |
| Cp,gas | 312.05 | J/mol×K | 446.80 | Joback Calculated Property |
| Cp,gas | 325.41 | J/mol×K | 474.27 | Joback Calculated Property |
| Cp,gas | 338.25 | J/mol×K | 501.73 | Joback Calculated Property |
| Cp,gas | 350.58 | J/mol×K | 529.20 | Joback Calculated Property |
| Cp,gas | 362.40 | J/mol×K | 556.66 | Joback Calculated Property |
| Cp,gas | 373.73 | J/mol×K | 584.12 | Joback Calculated Property |
Similar Compounds
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Sources
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