- InChI
- InChI=1S/C18H33NO3/c1-6-7-8-9-10-11-12-22-18(21)17(15(4)5)19-16(20)13-14(2)3/h13,15,17H,6-12H2,1-5H3,(H,19,20)
- InChI Key
- JWGONWAWBPYNBZ-UHFFFAOYSA-N
- Formula
- C18H33NO3
- SMILES
-
CCCCCCCCOC(=O)C(N=C(O)C=C(C)C)
C(C)C - Molecular Weight1
- 311.46
- 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 | 0.9657 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -772.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.837 | Crippen Calculated Property | |
| McVol | 279.170 | ml/mol | McGowan Calculated Property |
| Pc | 1244.21 | kPa | Joback Calculated Property |
| Inp | [2179.00; 2179.00] |
|
|
| Inp | 2179.00 | NIST | |
| Inp | 2179.00 | NIST | |
| Tboil | 596.12 | K | Relay (1.0) Calculated Property |
| Tc | 793.40 | K | Relay (1.0) Calculated Property |
| Tfus | 379.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.999 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-methylbut-2-enoyl)-, 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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