- InChI
- InChI=1S/C13H16Br2F6O4/c1-3-11(4-2,9(22)24-7(5-14)12(16,17)18)10(23)25-8(6-15)13(19,20)21/h7-8H,3-6H2,1-2H3
- InChI Key
- YTKUZSDIEUGPBV-UHFFFAOYSA-N
- Formula
- C13H16Br2F6O4
- SMILES
-
CCC(CC)(C(=O)OC(CBr)C(F)(F)F)C
(=O)OC(CBr)C(F)(F)F - Molecular Weight1
- 510.06
- 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 | 0.7713 | Relay (1.0) Calculated Property | |
| ΔfG° | -1545.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2161.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.531 | Crippen Calculated Property | |
| McVol | 254.530 | ml/mol | McGowan Calculated Property |
| Pc | 1689.34 | kPa | Joback Calculated Property |
| Inp | 1561.00 | NIST | |
| Tboil | 549.79 | K | Relay (1.0) Calculated Property |
| Tc | 723.14 | K | Relay (1.0) Calculated Property |
| Tfus | 355.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.871 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.22; 761.32] | J/mol×K | [766.79; 956.48] | 
|
| Cp,gas | 706.22 | J/mol×K | 766.79 | Joback Calculated Property |
| Cp,gas | 717.14 | J/mol×K | 798.41 | Joback Calculated Property |
| Cp,gas | 727.29 | J/mol×K | 830.02 | Joback Calculated Property |
| Cp,gas | 736.72 | J/mol×K | 861.64 | Joback Calculated Property |
| Cp,gas | 745.49 | J/mol×K | 893.25 | Joback Calculated Property |
| Cp,gas | 753.67 | J/mol×K | 924.87 | Joback Calculated Property |
| Cp,gas | 761.32 | J/mol×K | 956.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) ester.
Sources
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