- InChI
- InChI=1S/C23H33BrF2O4/c1-2-3-4-5-6-7-8-9-10-14-29-22(27)12-11-13-23(28)30-17-19-20(25)15-18(24)16-21(19)26/h15-16H,2-14,17H2,1H3
- InChI Key
- QTVKJUDZWNXNJK-UHFFFAOYSA-N
- Formula
- C23H33BrF2O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCC(=O)OCc1c
(F)cc(Br)cc1F - Molecular Weight1
- 491.41
- 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° | -616.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1171.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.17 | kJ/mol | Joback Calculated Property |
| log10WS | -8.60 | Crippen Calculated Property | |
| logPoct/wat | 7.015 | Crippen Calculated Property | |
| McVol | 347.090 | ml/mol | McGowan Calculated Property |
| Pc | 1061.71 | kPa | Joback Calculated Property |
| Inp | 2999.00 | NIST | |
| Tboil | 984.54 | K | Joback Calculated Property |
| Tc | 1205.68 | K | Joback Calculated Property |
| Tfus | 618.25 | K | Joback Calculated Property |
| Vc | 1.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1110.23; 1178.18] | J/mol×K | [984.54; 1205.68] | 
|
| Cp,gas | 1110.23 | J/mol×K | 984.54 | Joback Calculated Property |
| Cp,gas | 1124.83 | J/mol×K | 1021.40 | Joback Calculated Property |
| Cp,gas | 1138.07 | J/mol×K | 1058.25 | Joback Calculated Property |
| Cp,gas | 1149.98 | J/mol×K | 1095.11 | Joback Calculated Property |
| Cp,gas | 1160.61 | J/mol×K | 1131.97 | Joback Calculated Property |
| Cp,gas | 1170.00 | J/mol×K | 1168.82 | Joback Calculated Property |
| Cp,gas | 1178.18 | J/mol×K | 1205.68 | Joback Calculated Property |
Similar Compounds
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Sources
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