- InChI
- InChI=1S/C19H14Br2F4O4/c20-10-4-14(22)12(15(23)5-10)8-28-18(26)2-1-3-19(27)29-9-13-16(24)6-11(21)7-17(13)25/h4-7H,1-3,8-9H2
- InChI Key
- PFRUTQCAWKNKEX-UHFFFAOYSA-N
- Formula
- C19H14Br2F4O4
- SMILES
-
O=C(CCCC(=O)OCc1c(F)cc(Br)cc1F
)OCc1c(F)cc(Br)cc1F - Molecular Weight1
- 542.11
- 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° | -942.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1252.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.33 | kJ/mol | Joback Calculated Property |
| log10WS | -8.35 | Crippen Calculated Property | |
| logPoct/wat | 5.725 | Crippen Calculated Property | |
| McVol | 288.010 | ml/mol | McGowan Calculated Property |
| Pc | 1707.53 | kPa | Joback Calculated Property |
| Inp | 2918.00 | NIST | |
| Tboil | 999.34 | K | Joback Calculated Property |
| Tc | 1228.93 | K | Joback Calculated Property |
| Tfus | 698.13 | K | Joback Calculated Property |
| Vc | 1.127 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.57; 840.65] | J/mol×K | [999.34; 1228.93] | 
|
| Cp,gas | 805.57 | J/mol×K | 999.34 | Joback Calculated Property |
| Cp,gas | 814.05 | J/mol×K | 1037.60 | Joback Calculated Property |
| Cp,gas | 821.44 | J/mol×K | 1075.87 | Joback Calculated Property |
| Cp,gas | 827.77 | J/mol×K | 1114.13 | Joback Calculated Property |
| Cp,gas | 833.06 | J/mol×K | 1152.40 | Joback Calculated Property |
| Cp,gas | 837.34 | J/mol×K | 1190.66 | Joback Calculated Property |
| Cp,gas | 840.65 | J/mol×K | 1228.93 | Joback Calculated Property |
Similar Compounds
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Sources
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