- InChI
- InChI=1S/C14H22BrF3O4/c1-9(2)6-5-7-21-11(19)13(3,4)12(20)22-10(8-15)14(16,17)18/h9-10H,5-8H2,1-4H3
- InChI Key
- GCWSEMVYWQOVFC-UHFFFAOYSA-N
- Formula
- C14H22BrF3O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)OC(C
Br)C(F)(F)F - Molecular Weight1
- 391.22
- 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° | -970.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1411.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.861 | Crippen Calculated Property | |
| McVol | 245.810 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | 1591.00 | NIST | |
| Tboil | 728.93 | K | Joback Calculated Property |
| Tc | 917.04 | K | Joback Calculated Property |
| Tfus | 428.27 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.55; 767.71] | J/mol×K | [728.93; 917.04] | 
|
| Cp,gas | 696.55 | J/mol×K | 728.93 | Joback Calculated Property |
| Cp,gas | 710.46 | J/mol×K | 760.28 | Joback Calculated Property |
| Cp,gas | 723.49 | J/mol×K | 791.63 | Joback Calculated Property |
| Cp,gas | 735.69 | J/mol×K | 822.98 | Joback Calculated Property |
| Cp,gas | 747.10 | J/mol×K | 854.34 | Joback Calculated Property |
| Cp,gas | 757.76 | J/mol×K | 885.69 | Joback Calculated Property |
| Cp,gas | 767.71 | J/mol×K | 917.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isohexyl ester.
Sources
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