- InChI
- InChI=1S/C12H18BrF3O4/c1-4-11(5-2,9(17)19-6-3)10(18)20-8(7-13)12(14,15)16/h8H,4-7H2,1-3H3
- InChI Key
- SHELHCHMXZRKSG-UHFFFAOYSA-N
- Formula
- C12H18BrF3O4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OC(CBr)C
(F)(F)F - Molecular Weight1
- 363.17
- 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° | -984.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1365.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 3.225 | Crippen Calculated Property | |
| McVol | 217.630 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Inp | 1405.00 | NIST | |
| Tboil | 683.61 | K | Joback Calculated Property |
| Tc | 870.94 | K | Joback Calculated Property |
| Tfus | 420.73 | K | Joback Calculated Property |
| Vc | 0.844 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.28; 655.27] | J/mol×K | [683.61; 870.94] | 
|
| Cp,gas | 589.28 | J/mol×K | 683.61 | Joback Calculated Property |
| Cp,gas | 602.17 | J/mol×K | 714.83 | Joback Calculated Property |
| Cp,gas | 614.25 | J/mol×K | 746.05 | Joback Calculated Property |
| Cp,gas | 625.57 | J/mol×K | 777.28 | Joback Calculated Property |
| Cp,gas | 636.15 | J/mol×K | 808.50 | Joback Calculated Property |
| Cp,gas | 646.04 | J/mol×K | 839.72 | Joback Calculated Property |
| Cp,gas | 655.27 | J/mol×K | 870.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl ester.
Sources
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