- InChI
- InChI=1S/C21H17BrO/c22-19-13-11-17(12-14-19)20(16-7-3-1-4-8-16)15-21(23)18-9-5-2-6-10-18/h1-14,20H,15H2
- InChI Key
- WTKRBWMQAHGKHB-UHFFFAOYSA-N
- Formula
- C21H17BrO
- SMILES
-
O=C(CC(c1ccccc1)c1ccc(Br)cc1)c
1ccccc1 - Molecular Weight1
- 365.26
- CAS
- 5472-01-5
- 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° | 336.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 129.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.62 | kJ/mol | Joback Calculated Property |
| log10WS | -7.01 | Crippen Calculated Property | |
| logPoct/wat | 5.854 | Crippen Calculated Property | |
| McVol | 254.540 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Tboil | 884.49 | K | Joback Calculated Property |
| Tc | 1153.67 | K | Joback Calculated Property |
| Tfus | 512.94 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.68; 777.97] | J/mol×K | [884.49; 1153.67] | 
|
| Cp,gas | 708.68 | J/mol×K | 884.49 | Joback Calculated Property |
| Cp,gas | 722.91 | J/mol×K | 929.35 | Joback Calculated Property |
| Cp,gas | 735.84 | J/mol×K | 974.22 | Joback Calculated Property |
| Cp,gas | 747.64 | J/mol×K | 1019.08 | Joback Calculated Property |
| Cp,gas | 758.48 | J/mol×K | 1063.94 | Joback Calculated Property |
| Cp,gas | 768.54 | J/mol×K | 1108.81 | Joback Calculated Property |
| Cp,gas | 777.97 | J/mol×K | 1153.67 | Joback Calculated Property |
| η | [0.0000680; 0.0007342] | Pa×s | [512.94; 884.49] |
|
| η | 0.0007342 | Pa×s | 512.94 | Joback Calculated Property |
| η | 0.0003988 | Pa×s | 574.87 | Joback Calculated Property |
| η | 0.0002440 | Pa×s | 636.79 | Joback Calculated Property |
| η | 0.0001628 | Pa×s | 698.72 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 760.64 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 822.57 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 884.49 | Joback Calculated Property |
Similar Compounds
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Sources
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