- InChI
- InChI=1S/C17H14Br2O2/c18-11-13(19)10-17(12-6-2-1-3-7-12)14-8-4-5-9-15(14)21-16(17)20/h1-9,13H,10-11H2
- InChI Key
- FKSMJSVUWKOPCJ-UHFFFAOYSA-N
- Formula
- C17H14Br2O2
- SMILES
-
O=C1Oc2ccccc2C1(CC(Br)CBr)c1cc
ccc1 - Molecular Weight1
- 410.10
- CAS
- 93319-87-0
- Other Names
-
- Benzofuranone, 2(3h)-,3-(2',3'-dibromoproypyl)-3-phenyl-,
- 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° | 180.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 4.440 | Crippen Calculated Property | |
| McVol | 234.450 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Tboil | 880.33 | K | Joback Calculated Property |
| Tc | 1161.46 | K | Joback Calculated Property |
| Tfus | 587.94 | K | Joback Calculated Property |
| Vc | 0.873 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [638.43; 745.29] | J/mol×K | [880.33; 1161.46] | 
|
| Cp,gas | 638.43 | J/mol×K | 880.33 | Joback Calculated Property |
| Cp,gas | 654.85 | J/mol×K | 927.18 | Joback Calculated Property |
| Cp,gas | 671.36 | J/mol×K | 974.04 | Joback Calculated Property |
| Cp,gas | 688.32 | J/mol×K | 1020.89 | Joback Calculated Property |
| Cp,gas | 706.06 | J/mol×K | 1067.75 | Joback Calculated Property |
| Cp,gas | 724.94 | J/mol×K | 1114.60 | Joback Calculated Property |
| Cp,gas | 745.29 | J/mol×K | 1161.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzofuranone, 2(3h)-, 3-(2,3-dibromopropyl)-3-phenyl.
Sources
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