- InChI
- InChI=1S/C15H23NO4/c1-3-5-11-19-13(17)15(9-7-8-10-15)16-14(18)20-12-6-4-2/h2H,3,5-12H2,1H3,(H,16,18)
- InChI Key
- SVAKJDIPDQXEIA-UHFFFAOYSA-N
- Formula
- C15H23NO4
- SMILES
-
C#CCCOC(O)=NC1(C(=O)OCCCC)CCCC
1 - Molecular Weight1
- 281.35
- 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 | -442.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.59 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.596 | Crippen Calculated Property | |
| McVol | 227.610 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | [1918.00; 1918.00] |
|
|
| Inp | 1918.00 | NIST | |
| Inp | 1918.00 | NIST | |
| Tboil | 815.69 | K | Joback Calculated Property |
| Tc | 1023.95 | K | Joback Calculated Property |
Similar Compounds
Sources
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