- InChI
- InChI=1S/C17H13BrF2O4/c18-12-10-11(19)8-9-14(12)23-16(21)6-3-7-17(22)24-15-5-2-1-4-13(15)20/h1-2,4-5,8-10H,3,6-7H2
- InChI Key
- QQKFXUVHIHZLJG-UHFFFAOYSA-N
- Formula
- C17H13BrF2O4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(F)cc1Br)Oc1
ccccc1F - Molecular Weight1
- 399.18
- 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° | -554.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 4.409 | Crippen Calculated Property | |
| McVol | 238.790 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [2496.00; 2496.00] |
|
|
| Inp | 2496.00 | NIST | |
| Inp | 2496.00 | NIST | |
| Tboil | 873.94 | K | Joback Calculated Property |
| Tc | 1101.01 | K | Joback Calculated Property |
| Tfus | 577.05 | K | Joback Calculated Property |
| Vc | 0.917 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.12; 705.43] | J/mol×K | [873.94; 1101.01] |
|
| Cp,gas | 657.12 | J/mol×K | 873.94 | Joback Calculated Property |
| Cp,gas | 667.77 | J/mol×K | 911.78 | Joback Calculated Property |
| Cp,gas | 677.33 | J/mol×K | 949.63 | Joback Calculated Property |
| Cp,gas | 685.86 | J/mol×K | 987.47 | Joback Calculated Property |
| Cp,gas | 693.36 | J/mol×K | 1025.32 | Joback Calculated Property |
| Cp,gas | 699.88 | J/mol×K | 1063.16 | Joback Calculated Property |
| Cp,gas | 705.43 | J/mol×K | 1101.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-fluorophenyl 2-bromo-4-fluorophenyl ester.
Sources
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