- InChI
- InChI=1S/C16H9BrClFO4/c17-10-4-6-11(7-5-10)22-14(20)8-9-15(21)23-16-12(18)2-1-3-13(16)19/h1-9H/b9-8+
- InChI Key
- VJNLWFLQDHCGFG-CMDGGOBGSA-N
- Formula
- C16H9BrClFO4
- SMILES
-
O=C(C=CC(=O)Oc1c(F)cccc1Cl)Oc1
ccc(Br)cc1 - Molecular Weight1
- 399.60
- 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).
- Inp : Non-polar retention indices.
- 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° | -300.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.02 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 4.309 | Crippen Calculated Property | |
| McVol | 230.870 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | 2585.00 | NIST | |
| Tboil | 893.38 | K | Joback Calculated Property |
| Tc | 1140.67 | K | Joback Calculated Property |
| Tfus | 590.03 | K | Joback Calculated Property |
| Vc | 0.873 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.86; 626.80] | J/mol×K | [893.38; 1140.67] | 
|
| Cp,gas | 585.86 | J/mol×K | 893.38 | Joback Calculated Property |
| Cp,gas | 595.00 | J/mol×K | 934.59 | Joback Calculated Property |
| Cp,gas | 603.14 | J/mol×K | 975.81 | Joback Calculated Property |
| Cp,gas | 610.34 | J/mol×K | 1017.02 | Joback Calculated Property |
| Cp,gas | 616.65 | J/mol×K | 1058.24 | Joback Calculated Property |
| Cp,gas | 622.12 | J/mol×K | 1099.45 | Joback Calculated Property |
| Cp,gas | 626.80 | J/mol×K | 1140.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-bromophenyl 2-chloro-6-fluorophenyl ester.
Sources
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