- InChI
- InChI=1S/C19H35NO3/c1-14(2)8-7-13-23-19(22)18(15(3)4)20-17(21)12-11-16-9-5-6-10-16/h14-16,18H,5-13H2,1-4H3,(H,20,21)
- InChI Key
- OLTOEUYUDQEXLC-UHFFFAOYSA-N
- Formula
- C19H35NO3
- SMILES
-
CC(C)CCCOC(=O)C(N=C(O)CCC1CCCC
1)C(C)C - Molecular Weight1
- 325.49
- 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 | 0.9213 | Relay (1.0) Calculated Property | |
| ΔfG° | -183.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -858.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.917 | Crippen Calculated Property | |
| McVol | 286.700 | ml/mol | McGowan Calculated Property |
| Pc | 1275.51 | kPa | Joback Calculated Property |
| Inp | [2280.00; 2280.00] |
|
|
| Inp | 2280.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Tboil | 637.26 | K | Relay (1.0) Calculated Property |
| Tc | 833.52 | K | Relay (1.0) Calculated Property |
| Tfus | 350.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-cyclopentylpropionyl)-, isohexyl 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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