- InChI
- InChI=1S/C14H12BrF5O4/c15-9-6-8(16)4-5-10(9)24-12(22)3-1-2-11(21)23-7-14(19,20)13(17)18/h4-6,13H,1-3,7H2
- InChI Key
- UUAOWEDIQQMMBO-UHFFFAOYSA-N
- Formula
- C14H12BrF5O4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(F)cc1Br)OCC
(F)(F)C(F)F - Molecular Weight1
- 419.14
- 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° | -1267.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1576.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.34 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.107 | Crippen Calculated Property | |
| McVol | 225.590 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Inp | [1936.00; 1936.00] |
|
|
| Inp | 1936.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Tboil | 767.78 | K | Joback Calculated Property |
| Tc | 962.38 | K | Joback Calculated Property |
| Tfus | 493.49 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.91; 671.07] | J/mol×K | [767.78; 962.38] |
|
| Cp,gas | 617.91 | J/mol×K | 767.78 | Joback Calculated Property |
| Cp,gas | 628.65 | J/mol×K | 800.21 | Joback Calculated Property |
| Cp,gas | 638.60 | J/mol×K | 832.65 | Joback Calculated Property |
| Cp,gas | 647.79 | J/mol×K | 865.08 | Joback Calculated Property |
| Cp,gas | 656.25 | J/mol×K | 897.52 | Joback Calculated Property |
| Cp,gas | 664.00 | J/mol×K | 929.95 | Joback Calculated Property |
| Cp,gas | 671.07 | J/mol×K | 962.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-bromo-4-fluorophenyl ester.
Sources
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