- InChI
- InChI=1S/C28H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-33-28(31)26(23(2)3)29-27(30)24-20-17-18-21-25(24)32-4/h17-18,20-21,23,26H,5-16,19,22H2,1-4H3,(H,29,30)
- InChI Key
- JHDIHFWSAICUHV-UHFFFAOYSA-N
- Formula
- C28H47NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(N=C(O)c
1ccccc1OC)C(C)C - Molecular Weight1
- 461.68
- 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 | -863.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.72 | kJ/mol | Joback Calculated Property |
| log10WS | -8.17 | Crippen Calculated Property | |
| logPoct/wat | 7.659 | Crippen Calculated Property | |
| McVol | 406.480 | ml/mol | McGowan Calculated Property |
| Pc | 792.15 | kPa | Joback Calculated Property |
| Inp | [3449.00; 3449.00] |
|
|
| Inp | 3449.00 | NIST | |
| Inp | 3449.00 | NIST | |
| Tboil | 1138.27 | K | Joback Calculated Property |
| Tc | 1416.74 | K | Joback Calculated Property |
Similar Compounds
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Sources
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