- 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
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.4584 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1224.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 148.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.32 | Relay (1.0) 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 | 681.45 | K | Relay (1.0) Calculated Property |
| Tc | 864.70 | K | Relay (1.0) Calculated Property |
| Tfus | 338.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.587 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-Aminobutyric acid, N-isobutoxycarbonyl-, octadecyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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