- InChI
- InChI=1S/C7H17NO2S/c1-4-6-7-8(5-2)11(3,9)10/h4-7H2,1-3H3
- InChI Key
- WRRITKOTEHDDMZ-UHFFFAOYSA-N
- Formula
- C7H17NO2S
- SMILES
- CCCCN(CC)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° | -349.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -573.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.15 | Crippen Calculated Property | |
| logPoct/wat | 1.068 | Crippen Calculated Property | |
| McVol | 147.560 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Inp | [1503.00; 1503.00] |
|
|
| Inp | 1503.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Tboil | 419.78 | K | Joback Calculated Property |
| Tc | 581.06 | K | Joback Calculated Property |
| Tfus | 239.68 | K | Joback Calculated Property |
| Vc | 0.572 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.19; 371.91] | J/mol×K | [419.78; 581.06] |
|
| Cp,gas | 298.19 | J/mol×K | 419.78 | Joback Calculated Property |
| Cp,gas | 311.70 | J/mol×K | 446.66 | Joback Calculated Property |
| Cp,gas | 324.71 | J/mol×K | 473.54 | Joback Calculated Property |
| Cp,gas | 337.23 | J/mol×K | 500.42 | Joback Calculated Property |
| Cp,gas | 349.27 | J/mol×K | 527.30 | Joback Calculated Property |
| Cp,gas | 360.83 | J/mol×K | 554.18 | Joback Calculated Property |
| Cp,gas | 371.91 | J/mol×K | 581.06 | Joback Calculated Property |
Similar Compounds
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Sources
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