- InChI
- InChI=1S/C24H26Br2F2O4/c25-21-11-9-19(27)13-17(21)15-31-23(29)7-5-3-1-2-4-6-8-24(30)32-16-18-14-20(28)10-12-22(18)26/h9-14H,1-8,15-16H2
- InChI Key
- DCEUHFRMKZAXCP-UHFFFAOYSA-N
- Formula
- C24H26Br2F2O4
- SMILES
-
O=C(CCCCCCCCC(=O)OCc1cc(F)ccc1
Br)OCc1cc(F)ccc1Br - Molecular Weight1
- 576.27
- 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° | -491.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -940.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.77 | kJ/mol | Joback Calculated Property |
| log10WS | -9.78 | Crippen Calculated Property | |
| logPoct/wat | 7.397 | Crippen Calculated Property | |
| McVol | 354.920 | ml/mol | McGowan Calculated Property |
| Pc | 1293.93 | kPa | Joback Calculated Property |
| Inp | 3393.00 | NIST | |
| Tboil | 1105.24 | K | Joback Calculated Property |
| Tc | 1353.12 | K | Joback Calculated Property |
| Tfus | 728.26 | K | Joback Calculated Property |
| Vc | 1.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1087.96; 1131.01] | J/mol×K | [1105.24; 1353.12] | 
|
| Cp,gas | 1087.96 | J/mol×K | 1105.24 | Joback Calculated Property |
| Cp,gas | 1098.14 | J/mol×K | 1146.55 | Joback Calculated Property |
| Cp,gas | 1107.02 | J/mol×K | 1187.87 | Joback Calculated Property |
| Cp,gas | 1114.67 | J/mol×K | 1229.18 | Joback Calculated Property |
| Cp,gas | 1121.17 | J/mol×K | 1270.50 | Joback Calculated Property |
| Cp,gas | 1126.59 | J/mol×K | 1311.81 | Joback Calculated Property |
| Cp,gas | 1131.01 | J/mol×K | 1353.12 | Joback Calculated Property |
Similar Compounds
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Sources
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