- InChI
- InChI=1S/C20H31NO4/c1-5-6-7-8-11-14-25-20(23)18(15(2)3)21-19(22)16-12-9-10-13-17(16)24-4/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3,(H,21,22)
- InChI Key
- VASOEZVVYGEBNU-UHFFFAOYSA-N
- Formula
- C20H31NO4
- SMILES
-
CCCCCCCOC(=O)C(N=C(O)c1ccccc1O
C)C(C)C - Molecular Weight1
- 349.46
- 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 | 1.0569 | Relay (1.0) Calculated Property | |
| ΔfG° | -206.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -773.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.538 | Crippen Calculated Property | |
| McVol | 293.760 | ml/mol | McGowan Calculated Property |
| Pc | 1289.29 | kPa | Joback Calculated Property |
| Inp | [2600.00; 2600.00] |
|
|
| Inp | 2600.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Tboil | 645.64 | K | Relay (1.0) Calculated Property |
| Tc | 868.13 | K | Relay (1.0) Calculated Property |
| Tfus | 393.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.048 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(2-methoxybenzoyl)-, heptyl 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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