- InChI
- InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-13-16-19-30-25(28)23(20(2)3)26-24(27)21-17-14-15-18-22(21)29-4/h14-15,17-18,20,23H,5-13,16,19H2,1-4H3,(H,26,27)
- InChI Key
- YNDKIERMGKYAGX-UHFFFAOYSA-N
- Formula
- C25H41NO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(N=C(O)c1cc
ccc1OC)C(C)C - Molecular Weight1
- 419.60
- 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 | -801.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.04 | kJ/mol | Joback Calculated Property |
| log10WS | -6.91 | Crippen Calculated Property | |
| logPoct/wat | 6.489 | Crippen Calculated Property | |
| McVol | 364.210 | ml/mol | McGowan Calculated Property |
| Pc | 938.07 | kPa | Joback Calculated Property |
| Inp | [3125.00; 3125.00] |
|
|
| Inp | 3125.00 | NIST | |
| Inp | 3125.00 | NIST | |
| Tboil | 1069.63 | K | Joback Calculated Property |
| Tc | 1315.11 | K | Joback Calculated Property |
Similar Compounds
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Sources
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