- InChI
- InChI=1S/C24H42BrF3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-21(29)23(5-2,6-3)22(30)32-20(19-25)24(26,27)28/h20H,4-19H2,1-3H3
- InChI Key
- USFSMDXQIURBKU-UHFFFAOYSA-N
- Formula
- C24H42BrF3O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C
(=O)OC(CBr)C(F)(F)F - Molecular Weight1
- 531.49
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1177 | Relay (1.0) Calculated Property | |
| ΔfG° | -883.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1769.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.906 | Crippen Calculated Property | |
| McVol | 386.710 | ml/mol | McGowan Calculated Property |
| Pc | 840.16 | kPa | Joback Calculated Property |
| Inp | 2544.00 | NIST | |
| Tboil | 649.91 | K | Relay (1.0) Calculated Property |
| Tc | 807.45 | K | Relay (1.0) Calculated Property |
| Tfus | 321.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.399 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1285.56; 1377.57] | J/mol×K | [958.17; 1176.41] | 
|
| Cp,gas | 1285.56 | J/mol×K | 958.17 | Joback Calculated Property |
| Cp,gas | 1303.70 | J/mol×K | 994.54 | Joback Calculated Property |
| Cp,gas | 1320.58 | J/mol×K | 1030.92 | Joback Calculated Property |
| Cp,gas | 1336.31 | J/mol×K | 1067.29 | Joback Calculated Property |
| Cp,gas | 1350.98 | J/mol×K | 1103.67 | Joback Calculated Property |
| Cp,gas | 1364.70 | J/mol×K | 1140.04 | Joback Calculated Property |
| Cp,gas | 1377.57 | J/mol×K | 1176.41 | Joback Calculated Property |
Similar Compounds
Sources
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