- InChI
- InChI=1S/C19H29NO3/c1-4-5-9-14-23-19(22)18(15(2)3)20-17(21)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,18H,4-5,9,12-14H2,1-3H3,(H,20,21)
- InChI Key
- QMXKQAMCSADTHI-UHFFFAOYSA-N
- Formula
- C19H29NO3
- SMILES
-
CCCCCOC(=O)C(N=C(O)CCc1ccccc1)
C(C)C - Molecular Weight1
- 319.44
- 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 | 0.9420 | Relay (1.0) Calculated Property | |
| ΔfG° | -109.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -614.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.334 | Crippen Calculated Property | |
| McVol | 273.800 | ml/mol | McGowan Calculated Property |
| Pc | 1416.50 | kPa | Joback Calculated Property |
| Inp | [2364.00; 2364.00] |
|
|
| Inp | 2364.00 | NIST | |
| Inp | 2364.00 | NIST | |
| Tboil | 631.31 | K | Relay (1.0) Calculated Property |
| Tc | 846.47 | K | Relay (1.0) Calculated Property |
| Tfus | 365.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.972 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-phenylpropionyl)-, pentyl 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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