- InChI
- InChI=1S/C12H21NO3/c1-3-5-6-7-10-16-12(15)8-9-13-11(14)4-2/h4H,2-3,5-10H2,1H3,(H,13,14)
- InChI Key
- GAYWMVGWTMPYMR-UHFFFAOYSA-N
- Formula
- C12H21NO3
- SMILES
- C=CC(=O)NCCC(=O)OCCCCCC
- Molecular Weight1
- 227.30
- 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° | -135.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 1.802 | Crippen Calculated Property | |
| McVol | 194.630 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Inp | 1787.00 | NIST | |
| Tboil | 650.97 | K | Joback Calculated Property |
| Tc | 833.66 | K | Joback Calculated Property |
| Tfus | 397.99 | K | Joback Calculated Property |
| Vc | 0.753 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.51; 595.52] | J/mol×K | [650.97; 833.66] | 
|
| Cp,gas | 521.51 | J/mol×K | 650.97 | Joback Calculated Property |
| Cp,gas | 535.54 | J/mol×K | 681.42 | Joback Calculated Property |
| Cp,gas | 548.87 | J/mol×K | 711.87 | Joback Calculated Property |
| Cp,gas | 561.51 | J/mol×K | 742.31 | Joback Calculated Property |
| Cp,gas | 573.49 | J/mol×K | 772.76 | Joback Calculated Property |
| Cp,gas | 584.82 | J/mol×K | 803.21 | Joback Calculated Property |
| Cp,gas | 595.52 | J/mol×K | 833.66 | Joback Calculated Property |
Similar Compounds
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Sources
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