- InChI
- InChI=1S/C19H37NO3/c1-3-5-7-9-11-13-17-23-19(22)15-16-20-18(21)14-12-10-8-6-4-2/h3-17H2,1-2H3,(H,20,21)
- InChI Key
- DAJDGOYHLCLAAJ-UHFFFAOYSA-N
- Formula
- C19H37NO3
- SMILES
- CCCCCCCCOC(=O)CCN=C(O)CCCCCCC
- Molecular Weight1
- 327.50
- ΔfH°gas : Enthalpy of formation 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -760.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 5.597 | Crippen Calculated Property | |
| McVol | 297.560 | ml/mol | McGowan Calculated Property |
| Pc | 1108.15 | kPa | Joback Calculated Property |
| Inp | [2483.00; 2483.00] |
|
|
| Inp | 2483.00 | NIST | |
| Inp | 2483.00 | NIST | |
| Tboil | 879.15 | K | Joback Calculated Property |
| Tc | 1076.36 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-capryloyl-, octyl ester.
Sources
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