- InChI
- InChI=1S/C21H39NO4/c1-4-7-9-11-12-13-15-17-25-20(23)19(16-6-3)22-21(24)26-18-14-10-8-5-2/h6,19H,3-5,7-18H2,1-2H3,(H,22,24)
- InChI Key
- UMIBHDQQBHAXFG-UHFFFAOYSA-N
- Formula
- C21H39NO4
- SMILES
-
C=CCC(N=C(O)OCCCCCC)C(=O)OCCCC
CCCCC - Molecular Weight1
- 369.54
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -813.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.92 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 5.736 | Crippen Calculated Property | |
| McVol | 327.310 | ml/mol | McGowan Calculated Property |
| Pc | 999.54 | kPa | Joback Calculated Property |
| Inp | [2436.00; 2436.00] |
|
|
| Inp | 2436.00 | NIST | |
| Inp | 2436.00 | NIST | |
| Tboil | 943.57 | K | Joback Calculated Property |
| Tc | 1156.81 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Aminopent-4-enoic acid, N-hexyloxycarbonyl-, nonyl ester.
Sources
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