- InChI
- InChI=1S/C26H51NO4/c1-4-7-9-11-13-14-15-16-18-19-22-30-25(28)24(21-6-3)27-26(29)31-23-20-17-12-10-8-5-2/h24H,4-23H2,1-3H3,(H,27,29)/t24-/m1/s1
- InChI Key
- OQMXQSZICIIMCH-XMMPIXPASA-N
- Formula
- C26H51NO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CCC)N=C(O)
OCCCCCCCC - 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).
- 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 | 1.3945 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1184.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 138.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.910 | Crippen Calculated Property | |
| McVol | 402.060 | ml/mol | McGowan Calculated Property |
| Pc | 736.42 | kPa | Joback Calculated Property |
| Inp | [2985.00; 2985.00] |
|
|
| Inp | 2985.00 | NIST | |
| Inp | 2985.00 | NIST | |
| Tboil | 655.42 | K | Relay (1.0) Calculated Property |
| Tc | 855.25 | K | Relay (1.0) Calculated Property |
| Tfus | 333.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.516 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Norvaline, N-octyloxycarbonyl-, 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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