- InChI
- InChI=1S/C23H38BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-23(26)21-18-15-16-19-22(21)24/h15-16,18-19H,2-14,17,20H2,1H3,(H,25,26)
- InChI Key
- DWDFWIKZGIHOGZ-UHFFFAOYSA-N
- Formula
- C23H38BrNO
- SMILES
-
CCCCCCCCCCCCCCCCN=C(O)c1ccccc1
Br - Molecular Weight1
- 424.46
- 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 | -346.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.24 | kJ/mol | Joback Calculated Property |
| log10WS | -8.80 | Crippen Calculated Property | |
| logPoct/wat | 8.235 | Crippen Calculated Property | |
| McVol | 340.220 | ml/mol | McGowan Calculated Property |
| Pc | 1075.69 | kPa | Joback Calculated Property |
| Inp | [3179.00; 3179.00] |
|
|
| Inp | 3179.00 | NIST | |
| Inp | 3179.00 | NIST | |
| Tboil | 992.20 | K | Joback Calculated Property |
| Tc | 1214.73 | K | Joback Calculated Property |
Similar Compounds
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Sources
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