- InChI
- InChI=1S/C15H23NO2/c1-14(2,3)10-15(4,5)12-6-7-13(17)11(8-12)9-16-18/h6-9,17-18H,10H2,1-5H3
- InChI Key
- ABJZBILFGMMPGP-UHFFFAOYSA-N
- Formula
- C15H23NO2
- SMILES
-
CC(C)(C)CC(C)(C)c1ccc(O)c(C=NO
)c1 - Molecular Weight1
- 249.35
- 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 | -392.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 3.914 | Crippen Calculated Property | |
| McVol | 215.870 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | [1995.00; 1995.00] |
|
|
| Inp | 1995.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Tboil | 817.28 | K | Joback Calculated Property |
| Tc | 1039.88 | K | Joback Calculated Property |
Similar Compounds
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Sources
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