- InChI
- InChI=1S/C18H27NO4/c1-3-4-5-6-7-13-23-17(20)11-12-19-18(21)15-9-8-10-16(14-15)22-2/h8-10,14H,3-7,11-13H2,1-2H3,(H,19,21)
- InChI Key
- JQACRQIWEWZDOZ-UHFFFAOYSA-N
- Formula
- C18H27NO4
- SMILES
-
CCCCCCCOC(=O)CCN=C(O)c1cccc(OC
)c1 - Molecular Weight1
- 321.41
- 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 | -646.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 265.580 | ml/mol | McGowan Calculated Property |
| Pc | 1469.10 | kPa | Joback Calculated Property |
| Inp | [2645.00; 2645.00] |
|
|
| Inp | 2645.00 | NIST | |
| Inp | 2645.00 | NIST | |
| Tboil | 910.35 | K | Joback Calculated Property |
| Tc | 1119.26 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-methoxybenzoyl)-, heptyl ester.
Sources
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