- InChI
- InChI=1S/C25H47NO3/c1-4-5-6-7-8-9-10-11-12-15-20-29-25(28)24(21(2)3)26-23(27)19-18-22-16-13-14-17-22/h21-22,24H,4-20H2,1-3H3,(H,26,27)
- InChI Key
- KTNZZZXSKLSMAV-UHFFFAOYSA-N
- Formula
- C25H47NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(N=C(O)CCC1
CCCC1)C(C)C - Molecular Weight1
- 409.65
- 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 | 1.1684 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -963.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 139.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.402 | Crippen Calculated Property | |
| McVol | 371.240 | ml/mol | McGowan Calculated Property |
| Pc | 873.25 | kPa | Joback Calculated Property |
| Inp | [2936.00; 2936.00] |
|
|
| Inp | 2936.00 | NIST | |
| Inp | 2936.00 | NIST | |
| Tboil | 678.50 | K | Relay (1.0) Calculated Property |
| Tc | 884.59 | K | Relay (1.0) Calculated Property |
| Tfus | 369.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.352 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-cyclopentylpropionyl)-, dodecyl 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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