- InChI
- InChI=1S/C20H37NO4/c1-3-5-7-8-9-13-17-25-19(23)21-20(14-10-11-15-20)18(22)24-16-12-6-4-2/h3-17H2,1-2H3,(H,21,23)
- InChI Key
- CXRGSTMDTUDHBJ-UHFFFAOYSA-N
- Formula
- C20H37NO4
- SMILES
-
CCCCCCCCOC(O)=NC1(C(=O)OCCCCC)
CCCC1 - Molecular Weight1
- 355.51
- 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 | -837.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 5.324 | Crippen Calculated Property | |
| McVol | 306.660 | ml/mol | McGowan Calculated Property |
| Pc | 1195.65 | kPa | Joback Calculated Property |
| Inp | [2381.00; 2381.00] |
|
|
| Inp | 2381.00 | NIST | |
| Inp | 2381.00 | NIST | |
| Tboil | 939.97 | K | Joback Calculated Property |
| Tc | 1151.31 | K | Joback Calculated Property |
Similar Compounds
Sources
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