- InChI
- InChI=1S/C16H33NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h15H,4-14H2,1-3H3,(H,17,18)
- InChI Key
- KJXSXHGTHSJJMJ-UHFFFAOYSA-N
- Formula
- C16H33NO
- SMILES
- CCCCCCCCCCCC(O)=NCC(C)C
- Molecular Weight1
- 255.44
- 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 | -458.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 5.520 | Crippen Calculated Property | |
| McVol | 247.850 | ml/mol | McGowan Calculated Property |
| Pc | 1318.48 | kPa | Joback Calculated Property |
| Inp | [2010.00; 2010.00] |
|
|
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Tboil | 733.78 | K | Joback Calculated Property |
| Tc | 910.55 | K | Joback Calculated Property |
Similar Compounds
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Sources
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