- InChI
- InChI=1S/C27H53NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-26(29)21-20-22-28-27(30)32-24-25(2)3/h25H,4-24H2,1-3H3,(H,28,30)
- InChI Key
- YMOBGXXSYNRZEW-UHFFFAOYSA-N
- Formula
- C27H53NO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCN=C
(O)OCC(C)C - Molecular Weight1
- 455.71
- Other Names
-
- .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, octadecyl ester
- 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).
- 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 | -1062.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.95 | kJ/mol | Joback Calculated Property |
| log10WS | -8.31 | Crippen Calculated Property | |
| logPoct/wat | 8.158 | Crippen Calculated Property | |
| McVol | 416.150 | ml/mol | McGowan Calculated Property |
| Pc | 699.50 | kPa | Joback Calculated Property |
| Tboil | 1084.17 | K | Joback Calculated Property |
| Tc | 1368.09 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-Aminobutyric acid, N-isobutoxycarbonyl-, octadecyl ester.
Sources
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