- InChI
- InChI=1S/C14H7BrF4O2/c15-11-7-10(16)4-5-12(11)21-13(20)8-2-1-3-9(6-8)14(17,18)19/h1-7H
- InChI Key
- ORSKOPILQLSQCZ-UHFFFAOYSA-N
- Formula
- C14H7BrF4O2
- SMILES
-
O=C(Oc1ccc(F)cc1Br)c1cccc(C(F)
(F)F)c1 - Molecular Weight1
- 363.10
- 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° | -733.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -905.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.32 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 4.826 | Crippen Calculated Property | |
| McVol | 192.620 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Inp | [1763.00; 1763.00] |
|
|
| Inp | 1763.00 | NIST | |
| Inp | 1763.00 | NIST | |
| Tboil | 724.32 | K | Joback Calculated Property |
| Tc | 950.72 | K | Joback Calculated Property |
| Tfus | 474.68 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.93; 533.90] | J/mol×K | [724.32; 950.72] |
|
| Cp,gas | 481.93 | J/mol×K | 724.32 | Joback Calculated Property |
| Cp,gas | 492.73 | J/mol×K | 762.05 | Joback Calculated Property |
| Cp,gas | 502.59 | J/mol×K | 799.79 | Joback Calculated Property |
| Cp,gas | 511.57 | J/mol×K | 837.52 | Joback Calculated Property |
| Cp,gas | 519.74 | J/mol×K | 875.25 | Joback Calculated Property |
| Cp,gas | 527.16 | J/mol×K | 912.99 | Joback Calculated Property |
| Cp,gas | 533.90 | J/mol×K | 950.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester.
Sources
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