- InChI
- InChI=1S/C9H10BrNO/c1-2-11-9(12)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3,(H,11,12)
- InChI Key
- BYCKUGXGVHIJFY-UHFFFAOYSA-N
- Formula
- C9H10BrNO
- SMILES
- CCN=C(O)c1cccc(Br)c1
- Molecular Weight1
- 228.09
- 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 | -57.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.774 | Crippen Calculated Property | |
| McVol | 142.960 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Inp | [1752.00; 1752.00] |
|
|
| Inp | 1752.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Tboil | 671.88 | K | Joback Calculated Property |
| Tc | 898.99 | K | Joback Calculated Property |
Similar Compounds
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Sources
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