- InChI
- InChI=1S/C25H37BrF2O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-31-24(29)14-13-15-25(30)32-19-21-22(27)17-20(26)18-23(21)28/h17-18H,2-16,19H2,1H3
- InChI Key
- WGSZSXKVWOJIRD-UHFFFAOYSA-N
- Formula
- C25H37BrF2O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCC(=O)OCc
1c(F)cc(Br)cc1F - Molecular Weight1
- 519.46
- 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° | -600.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1212.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.62 | kJ/mol | Joback Calculated Property |
| log10WS | -9.44 | Crippen Calculated Property | |
| logPoct/wat | 7.795 | Crippen Calculated Property | |
| McVol | 375.270 | ml/mol | McGowan Calculated Property |
| Pc | 940.37 | kPa | Joback Calculated Property |
| Inp | 3206.00 | NIST | |
| Tboil | 1030.30 | K | Joback Calculated Property |
| Tc | 1265.68 | K | Joback Calculated Property |
| Tfus | 640.79 | K | Joback Calculated Property |
| Vc | 1.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1232.63; 1301.65] | J/mol×K | [1030.30; 1265.68] | 
|
| Cp,gas | 1232.63 | J/mol×K | 1030.30 | Joback Calculated Property |
| Cp,gas | 1247.90 | J/mol×K | 1069.53 | Joback Calculated Property |
| Cp,gas | 1261.60 | J/mol×K | 1108.76 | Joback Calculated Property |
| Cp,gas | 1273.76 | J/mol×K | 1147.99 | Joback Calculated Property |
| Cp,gas | 1284.46 | J/mol×K | 1187.22 | Joback Calculated Property |
| Cp,gas | 1293.73 | J/mol×K | 1226.45 | Joback Calculated Property |
| Cp,gas | 1301.65 | J/mol×K | 1265.68 | Joback Calculated Property |
Similar Compounds
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Sources
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