- InChI
- InChI=1S/C27H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-31-27(30)25(22(2)3)28-26(29)24-19-17-18-23(4)21-24/h17-19,21-22,25H,5-16,20H2,1-4H3,(H,28,29)
- InChI Key
- SNOSUXTZZNPDFJ-UHFFFAOYSA-N
- Formula
- C27H45NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(N=C(O)c1
cccc(C)c1)C(C)C - Molecular Weight1
- 431.65
- 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 | 1.2681 | Relay (1.0) Calculated Property | |
| ΔfG° | -66.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -809.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 145.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.569 | Crippen Calculated Property | |
| McVol | 386.520 | ml/mol | McGowan Calculated Property |
| Pc | 845.05 | kPa | Joback Calculated Property |
| Inp | [3198.00; 3198.00] |
|
|
| Inp | 3198.00 | NIST | |
| Inp | 3198.00 | NIST | |
| Tboil | 691.06 | K | Relay (1.0) Calculated Property |
| Tc | 913.63 | K | Relay (1.0) Calculated Property |
| Tfus | 374.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.407 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-methylbenzoyl)-, tetradecyl 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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