- InChI
- InChI=1S/C17H15BrO2/c18-12-6-11-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)20-16(17)19/h1-5,7-10H,6,11-12H2
- InChI Key
- GUZOMDMCWOJYEU-UHFFFAOYSA-N
- Formula
- C17H15BrO2
- SMILES
- O=C1Oc2ccccc2C1(CCCBr)c1ccccc1
- Molecular Weight1
- 331.20
- CAS
- 93323-03-6
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 168.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.60 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 4.067 | Crippen Calculated Property | |
| McVol | 216.950 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Tboil | 814.61 | K | Joback Calculated Property |
| Tc | 1082.40 | K | Joback Calculated Property |
| Tfus | 543.14 | K | Joback Calculated Property |
| Vc | 0.817 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.81; 702.38] | J/mol×K | [814.61; 1082.40] | 
|
| Cp,gas | 603.81 | J/mol×K | 814.61 | Joback Calculated Property |
| Cp,gas | 620.34 | J/mol×K | 859.24 | Joback Calculated Property |
| Cp,gas | 636.46 | J/mol×K | 903.87 | Joback Calculated Property |
| Cp,gas | 652.44 | J/mol×K | 948.51 | Joback Calculated Property |
| Cp,gas | 668.56 | J/mol×K | 993.14 | Joback Calculated Property |
| Cp,gas | 685.12 | J/mol×K | 1037.77 | Joback Calculated Property |
| Cp,gas | 702.38 | J/mol×K | 1082.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzofuranone, 2(3h)-, 3-(3-bromopropyl)-3-phenyl-.
Sources
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