- InChI
- InChI=1S/C16H10BrFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+
- InChI Key
- PBNWQAHQQRKUNI-MDZDMXLPSA-N
- Formula
- C16H10BrFO4
- SMILES
-
O=C(C=CC(=O)Oc1ccccc1F)Oc1ccc(
Br)cc1 - Molecular Weight1
- 365.15
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7438 | Relay (... Calculated Property | |
| ΔfG° | -278.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.07 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -5.47 | Relay (... Calculated Property | |
| logPoct/wat | 3.655 | Crippen Calculated Property | |
| McVol | 218.630 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Tboil | 638.44 | K | Relay (... Calculated Property |
| Tc | 903.59 | K | Relay (... Calculated Property |
| Tfus | 361.44 | K | Relay (... Calculated Property |
| Vc | 0.759 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.04; 617.09] | J/mol×K | [850.97; 1095.42] | 
|
| Cp,gas | 569.04 | J/mol×K | 850.97 | Joback Calculated Property |
| Cp,gas | 579.46 | J/mol×K | 891.71 | Joback Calculated Property |
| Cp,gas | 588.84 | J/mol×K | 932.45 | Joback Calculated Property |
| Cp,gas | 597.23 | J/mol×K | 973.19 | Joback Calculated Property |
| Cp,gas | 604.70 | J/mol×K | 1013.93 | Joback Calculated Property |
| Cp,gas | 611.30 | J/mol×K | 1054.68 | Joback Calculated Property |
| Cp,gas | 617.09 | J/mol×K | 1095.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-bromophenyl 2-fluorophenyl ester.
Sources
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