- InChI
- InChI=1S/C17H31NO4/c1-5-6-9-12-21-14(19)17(10-7-8-11-17)18-15(20)22-13-16(2,3)4/h5-13H2,1-4H3,(H,18,20)
- InChI Key
- NGENUFGXFKJHSV-UHFFFAOYSA-N
- Formula
- C17H31NO4
- SMILES
-
CCCCCOC(=O)C1(N=C(O)OCC(C)(C)C
)CCCC1 - Molecular Weight1
- 313.43
- 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 | -784.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 4.009 | Crippen Calculated Property | |
| McVol | 264.390 | ml/mol | McGowan Calculated Property |
| Pc | 1496.51 | kPa | Joback Calculated Property |
| Inp | [2018.00; 2018.00] |
|
|
| Inp | 2018.00 | NIST | |
| Inp | 2018.00 | NIST | |
| Tboil | 868.10 | K | Joback Calculated Property |
| Tc | 1075.39 | K | Joback Calculated Property |
Similar Compounds
Sources
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