- InChI
- InChI=1S/C12H23NO4/c1-4-6-7-8-9-17-11(14)10-13(3)12(15)16-5-2/h4-10H2,1-3H3
- InChI Key
- SHHNWUGAOCTACQ-UHFFFAOYSA-N
- Formula
- C12H23NO4
- SMILES
- CCCCCCOC(=O)CN(C)C(=O)OCC
- Molecular Weight1
- 245.32
- 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° | -306.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.66 | kJ/mol | Joback Calculated Property |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 2.198 | Crippen Calculated Property | |
| McVol | 204.800 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | 1596.00 | NIST | |
| Tboil | 638.98 | K | Joback Calculated Property |
| Tc | 815.13 | K | Joback Calculated Property |
| Tfus | 401.79 | K | Joback Calculated Property |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.43; 633.70] | J/mol×K | [638.98; 815.13] | 
|
| Cp,gas | 554.43 | J/mol×K | 638.98 | Joback Calculated Property |
| Cp,gas | 569.34 | J/mol×K | 668.34 | Joback Calculated Property |
| Cp,gas | 583.57 | J/mol×K | 697.70 | Joback Calculated Property |
| Cp,gas | 597.11 | J/mol×K | 727.05 | Joback Calculated Property |
| Cp,gas | 609.97 | J/mol×K | 756.41 | Joback Calculated Property |
| Cp,gas | 622.17 | J/mol×K | 785.77 | Joback Calculated Property |
| Cp,gas | 633.70 | J/mol×K | 815.13 | Joback Calculated Property |
Similar Compounds
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Sources
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