- InChI
- InChI=1S/C24H24Br2F4O4/c25-15-9-19(27)17(20(28)10-15)13-33-23(31)7-5-3-1-2-4-6-8-24(32)34-14-18-21(29)11-16(26)12-22(18)30/h9-12H,1-8,13-14H2
- InChI Key
- URITZRQRAGWNAZ-UHFFFAOYSA-N
- Formula
- C24H24Br2F4O4
- SMILES
-
O=C(CCCCCCCCC(=O)OCc1c(F)cc(Br
)cc1F)OCc1c(F)cc(Br)cc1F - Molecular Weight1
- 612.25
- 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° | -900.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1355.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.46 | kJ/mol | Joback Calculated Property |
| log10WS | -10.44 | Crippen Calculated Property | |
| logPoct/wat | 7.675 | Crippen Calculated Property | |
| McVol | 358.460 | ml/mol | McGowan Calculated Property |
| Pc | 1189.06 | kPa | Joback Calculated Property |
| Inp | 3281.00 | NIST | |
| Tboil | 1113.74 | K | Joback Calculated Property |
| Tc | 1365.50 | K | Joback Calculated Property |
| Tfus | 754.48 | K | Joback Calculated Property |
| Vc | 1.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1096.99; 1133.23] | J/mol×K | [1113.74; 1365.50] | 
|
| Cp,gas | 1096.99 | J/mol×K | 1113.74 | Joback Calculated Property |
| Cp,gas | 1106.43 | J/mol×K | 1155.70 | Joback Calculated Property |
| Cp,gas | 1114.43 | J/mol×K | 1197.66 | Joback Calculated Property |
| Cp,gas | 1121.04 | J/mol×K | 1239.62 | Joback Calculated Property |
| Cp,gas | 1126.34 | J/mol×K | 1281.58 | Joback Calculated Property |
| Cp,gas | 1130.38 | J/mol×K | 1323.54 | Joback Calculated Property |
| Cp,gas | 1133.23 | J/mol×K | 1365.50 | Joback Calculated Property |
Similar Compounds
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Sources
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