- InChI
- InChI=1S/C11H14BrNO/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3,(H,13,14)
- InChI Key
- GHVOBCARUCCRSY-UHFFFAOYSA-N
- Formula
- C11H14BrNO
- SMILES
- CC(C)CN=C(O)c1cccc(Br)c1
- Molecular Weight1
- 256.14
- 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 | -104.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.14 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 3.410 | Crippen Calculated Property | |
| McVol | 171.140 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Inp | [1884.00; 1884.00] |
|
|
| Inp | 1884.00 | NIST | |
| Inp | 1884.00 | NIST | |
| Tboil | 717.20 | K | Joback Calculated Property |
| Tc | 940.57 | K | Joback Calculated Property |
Similar Compounds
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Sources
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