- InChI
- InChI=1S/C25H47NO4/c1-4-7-9-11-12-13-14-15-16-17-19-21-29-24(27)23(20-6-3)26-25(28)30-22-18-10-8-5-2/h6,23H,3-5,7-22H2,1-2H3,(H,26,28)
- InChI Key
- DOSUVENEDQDXKC-UHFFFAOYSA-N
- Formula
- C25H47NO4
- SMILES
-
C=CCC(N=C(O)OCCCCCC)C(=O)OCCCC
CCCCCCCCC - Molecular Weight1
- 425.64
- 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 | 1.3128 | Relay (... Calculated Property | |
| ΔfG° | -160.14 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1065.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 132.42 | kJ/mol | Relay (... Calculated Property |
| IE | 9.25 | eV | Relay (... Calculated Property |
| log10WS | -6.45 | Relay (... Calculated Property | |
| logPoct/wat | 7.296 | Crippen Calculated Property | |
| McVol | 383.670 | ml/mol | McGowan Calculated Property |
| Pc | 794.84 | kPa | Joback Calculated Property |
| Inp | [2828.00; 2828.00] |
|
|
| Inp | 2828.00 | NIST | |
| Inp | 2828.00 | NIST | |
| Tboil | 670.16 | K | Relay (... Calculated Property |
| Tc | 854.92 | K | Relay (... Calculated Property |
| Tfus | 317.46 | K | Relay (... Calculated Property |
| Vc | 1.409 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Aminopent-4-enoic acid, N-hexyloxycarbonyl-, tridecyl 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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