- InChI
- InChI=1S/C12H7BrF8O2/c13-7-4-2-1-3-6(7)8(22)23-5-10(16,17)12(20,21)11(18,19)9(14)15/h1-4,9H,5H2
- InChI Key
- HRKWSBPLEXTMLQ-UHFFFAOYSA-N
- Formula
- C12H7BrF8O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F
)F)c1ccccc1Br - Molecular Weight1
- 415.07
- 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° | -1619.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1884.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.02 | kJ/mol | Joback Calculated Property |
| log10WS | -5.81 | Crippen Calculated Property | |
| logPoct/wat | 4.777 | Crippen Calculated Property | |
| McVol | 195.280 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Inp | 1570.00 | NIST | |
| Tboil | 632.10 | K | Joback Calculated Property |
| Tc | 817.50 | K | Joback Calculated Property |
| Tfus | 392.88 | K | Joback Calculated Property |
| Vc | 0.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.23; 562.47] | J/mol×K | [632.10; 817.50] | 
|
| Cp,gas | 509.23 | J/mol×K | 632.10 | Joback Calculated Property |
| Cp,gas | 520.10 | J/mol×K | 663.00 | Joback Calculated Property |
| Cp,gas | 530.09 | J/mol×K | 693.90 | Joback Calculated Property |
| Cp,gas | 539.26 | J/mol×K | 724.80 | Joback Calculated Property |
| Cp,gas | 547.67 | J/mol×K | 755.70 | Joback Calculated Property |
| Cp,gas | 555.38 | J/mol×K | 786.60 | Joback Calculated Property |
| Cp,gas | 562.47 | J/mol×K | 817.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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