- InChI
- InChI=1S/C9H21NO2S/c1-4-6-7-8-9-10(5-2)13(3,11)12/h4-9H2,1-3H3
- InChI Key
- ZJINUAVGCLHLEA-UHFFFAOYSA-N
- Formula
- C9H21NO2S
- SMILES
- CCCCCCN(CC)S(C)(=O)=O
- Molecular Weight1
- 207.33
- 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° | -332.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.31 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.848 | Crippen Calculated Property | |
| McVol | 175.740 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | [1731.00; 1731.00] |
|
|
| Inp | 1731.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Tboil | 465.54 | K | Joback Calculated Property |
| Tc | 625.53 | K | Joback Calculated Property |
| Tfus | 262.22 | K | Joback Calculated Property |
| Vc | 0.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.34; 469.52] | J/mol×K | [465.54; 625.53] |
|
| Cp,gas | 386.34 | J/mol×K | 465.54 | Joback Calculated Property |
| Cp,gas | 401.63 | J/mol×K | 492.21 | Joback Calculated Property |
| Cp,gas | 416.34 | J/mol×K | 518.87 | Joback Calculated Property |
| Cp,gas | 430.48 | J/mol×K | 545.54 | Joback Calculated Property |
| Cp,gas | 444.05 | J/mol×K | 572.20 | Joback Calculated Property |
| Cp,gas | 457.06 | J/mol×K | 598.87 | Joback Calculated Property |
| Cp,gas | 469.52 | J/mol×K | 625.53 | Joback Calculated Property |
Similar Compounds
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Sources
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