- InChI
- InChI=1S/C22H35NO3/c1-4-5-6-7-8-12-17-26-22(25)21(18(2)3)23-20(24)16-15-19-13-10-9-11-14-19/h9-11,13-14,18,21H,4-8,12,15-17H2,1-3H3,(H,23,24)
- InChI Key
- MALOLHZJIKAMLG-UHFFFAOYSA-N
- Formula
- C22H35NO3
- SMILES
-
CCCCCCCCOC(=O)C(N=C(O)CCc1cccc
c1)C(C)C - Molecular Weight1
- 361.52
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0557 | Relay (1.0) Calculated Property | |
| ΔfG° | -86.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -678.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 127.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.504 | Crippen Calculated Property | |
| McVol | 316.070 | ml/mol | McGowan Calculated Property |
| Pc | 1153.00 | kPa | Joback Calculated Property |
| Inp | [2667.00; 2667.00] |
|
|
| Inp | 2667.00 | NIST | |
| Inp | 2667.00 | NIST | |
| Tboil | 653.58 | K | Relay (1.0) Calculated Property |
| Tc | 871.38 | K | Relay (1.0) Calculated Property |
| Tfus | 373.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.134 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-phenylpropionyl)-, octyl 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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