- InChI
- InChI=1S/C11H12Br2F6O4/c1-9(2,7(20)22-5(3-12)10(14,15)16)8(21)23-6(4-13)11(17,18)19/h5-6H,3-4H2,1-2H3
- InChI Key
- SAIFPIKBRNLLGC-UHFFFAOYSA-N
- Formula
- C11H12Br2F6O4
- SMILES
-
CC(C)(C(=O)OC(CBr)C(F)(F)F)C(=
O)OC(CBr)C(F)(F)F - Molecular Weight1
- 482.01
- 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° | -1562.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1920.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.751 | Crippen Calculated Property | |
| McVol | 226.350 | ml/mol | McGowan Calculated Property |
| Pc | 1991.21 | kPa | Joback Calculated Property |
| Inp | 1444.00 | NIST | |
| Tboil | 721.03 | K | Joback Calculated Property |
| Tc | 911.60 | K | Joback Calculated Property |
| Tfus | 458.45 | K | Joback Calculated Property |
| Vc | 0.886 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.35; 651.30] | J/mol×K | [721.03; 911.60] | 
|
| Cp,gas | 601.35 | J/mol×K | 721.03 | Joback Calculated Property |
| Cp,gas | 611.40 | J/mol×K | 752.79 | Joback Calculated Property |
| Cp,gas | 620.68 | J/mol×K | 784.55 | Joback Calculated Property |
| Cp,gas | 629.26 | J/mol×K | 816.32 | Joback Calculated Property |
| Cp,gas | 637.18 | J/mol×K | 848.08 | Joback Calculated Property |
| Cp,gas | 644.51 | J/mol×K | 879.84 | Joback Calculated Property |
| Cp,gas | 651.30 | J/mol×K | 911.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester.
Sources
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