- InChI
- InChI=1S/C9H9BrO2/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-6H,2H2,1H3
- InChI Key
- NFCBVQSSJAXEJD-UHFFFAOYSA-N
- Formula
- C9H9BrO2
- SMILES
- CCOc1ccc(Br)cc1C=O
- Molecular Weight1
- 229.07
- CAS
- 79636-94-5
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -72.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 2.660 | Crippen Calculated Property | |
| McVol | 138.850 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Tboil | 579.20 | K | Joback Calculated Property |
| Tc | 806.45 | K | Joback Calculated Property |
| Tfus | 366.68 | K | Joback Calculated Property |
| Vc | 0.528 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.41; 346.64] | J/mol×K | [579.20; 806.45] | 
|
| Cp,gas | 291.41 | J/mol×K | 579.20 | Joback Calculated Property |
| Cp,gas | 302.18 | J/mol×K | 617.07 | Joback Calculated Property |
| Cp,gas | 312.31 | J/mol×K | 654.95 | Joback Calculated Property |
| Cp,gas | 321.80 | J/mol×K | 692.82 | Joback Calculated Property |
| Cp,gas | 330.67 | J/mol×K | 730.70 | Joback Calculated Property |
| Cp,gas | 338.95 | J/mol×K | 768.57 | Joback Calculated Property |
| Cp,gas | 346.64 | J/mol×K | 806.45 | Joback Calculated Property |
| η | [0.0002540; 0.0013758] | Pa×s | [366.68; 579.20] |
|
| η | 0.0013758 | Pa×s | 366.68 | Joback Calculated Property |
| η | 0.0009171 | Pa×s | 402.10 | Joback Calculated Property |
| η | 0.0006528 | Pa×s | 437.52 | Joback Calculated Property |
| η | 0.0004890 | Pa×s | 472.94 | Joback Calculated Property |
| η | 0.0003813 | Pa×s | 508.36 | Joback Calculated Property |
| η | 0.0003071 | Pa×s | 543.78 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 579.20 | Joback Calculated Property |
Similar Compounds
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Sources
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