- InChI
- InChI=1S/C28H55NO4/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-22-32-27(30)23-25(4)29-28(31)33-24-26(7-3)21-9-6-2/h25-26H,5-24H2,1-4H3,(H,29,31)
- InChI Key
- WKIGYRSFZYBHDZ-UHFFFAOYSA-N
- Formula
- C28H55NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CC(C)N=C(
O)OCC(CC)CCCC - Molecular Weight1
- 469.74
- 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 | -1088.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.78 | kJ/mol | Joback Calculated Property |
| log10WS | -8.84 | Crippen Calculated Property | |
| logPoct/wat | 8.546 | Crippen Calculated Property | |
| McVol | 430.240 | ml/mol | McGowan Calculated Property |
| Pc | 668.04 | kPa | Joback Calculated Property |
| Inp | [3174.00; 3174.00] |
|
|
| Inp | 3174.00 | NIST | |
| Inp | 3174.00 | NIST | |
| Tboil | 1106.61 | K | Joback Calculated Property |
| Tc | 1403.05 | K | Joback Calculated Property |
Similar Compounds
Sources
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