- InChI
- InChI=1S/C16H25NO/c1-3-4-5-6-7-8-12-17-16(18)15-11-9-10-14(2)13-15/h9-11,13H,3-8,12H2,1-2H3,(H,17,18)
- InChI Key
- PDNXPELOTIFSKU-UHFFFAOYSA-N
- Formula
- C16H25NO
- SMILES
- CCCCCCCCN=C(O)c1cccc(C)c1
- Molecular Weight1
- 247.38
- 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 | -228.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 4.660 | Crippen Calculated Property | |
| McVol | 224.090 | ml/mol | McGowan Calculated Property |
| Pc | 1671.43 | kPa | Joback Calculated Property |
| Inp | [2187.00; 2187.00] |
|
|
| Inp | 2187.00 | NIST | |
| Inp | 2187.00 | NIST | |
| Tboil | 765.88 | K | Joback Calculated Property |
| Tc | 963.96 | K | Joback Calculated Property |
Similar Compounds
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Sources
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