- InChI
- InChI=1S/C22H37NO4/c1-3-5-7-8-9-10-11-12-15-19-26-20(24)22(16-13-14-17-22)23-21(25)27-18-6-4-2/h2H,3,5-19H2,1H3,(H,23,25)
- InChI Key
- XKDFGGLCIQHDTP-UHFFFAOYSA-N
- Formula
- C22H37NO4
- SMILES
-
C#CCCOC(O)=NC1(C(=O)OCCCCCCCCC
CC)CCCC1 - Molecular Weight1
- 379.53
- 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 | -586.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.17 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 5.327 | Crippen Calculated Property | |
| McVol | 326.240 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Inp | [2586.00; 2586.00] |
|
|
| Inp | 2586.00 | NIST | |
| Inp | 2586.00 | NIST | |
| Tboil | 975.85 | K | Joback Calculated Property |
| Tc | 1194.85 | K | Joback Calculated Property |
Similar Compounds
Sources
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