- InChI
- InChI=1S/C26H51NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-25(28)24(20-6-2)27-26(29)31-22-23(3)4/h23-24H,5-22H2,1-4H3,(H,27,29)
- InChI Key
- OFEFFOWEOYMBJC-UHFFFAOYSA-N
- Formula
- C26H51NO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CCC)N=
C(O)OCC(C)C - Molecular Weight1
- 441.69
- 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).
- 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 | 1.3601 | Relay (1.0) Calculated Property | |
| ΔfG° | -232.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1198.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.766 | Crippen Calculated Property | |
| McVol | 402.060 | ml/mol | McGowan Calculated Property |
| Pc | 739.63 | kPa | Joback Calculated Property |
| Tboil | 658.34 | K | Relay (1.0) Calculated Property |
| Tc | 849.69 | K | Relay (1.0) Calculated Property |
| Tfus | 329.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.511 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, hexadecyl 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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