- InChI
- InChI=1S/C20H34BrF3O4/c1-4-7-8-9-10-11-12-13-14-27-17(25)19(5-2,6-3)18(26)28-16(15-21)20(22,23)24/h16H,4-15H2,1-3H3
- InChI Key
- YSCMQYLPUACKGU-UHFFFAOYSA-N
- Formula
- C20H34BrF3O4
- SMILES
-
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)
OC(CBr)C(F)(F)F - Molecular Weight1
- 475.38
- 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° | -917.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1530.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.43 | kJ/mol | Joback Calculated Property |
| log10WS | -6.88 | Crippen Calculated Property | |
| logPoct/wat | 6.346 | Crippen Calculated Property | |
| McVol | 330.350 | ml/mol | McGowan Calculated Property |
| Pc | 1063.79 | kPa | Joback Calculated Property |
| Inp | 2130.00 | NIST | |
| Tboil | 866.65 | K | Joback Calculated Property |
| Tc | 1062.00 | K | Joback Calculated Property |
| Tfus | 510.89 | K | Joback Calculated Property |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1040.52; 1122.57] | J/mol×K | [866.65; 1062.00] | 
|
| Cp,gas | 1040.52 | J/mol×K | 866.65 | Joback Calculated Property |
| Cp,gas | 1056.54 | J/mol×K | 899.21 | Joback Calculated Property |
| Cp,gas | 1071.54 | J/mol×K | 931.77 | Joback Calculated Property |
| Cp,gas | 1085.58 | J/mol×K | 964.32 | Joback Calculated Property |
| Cp,gas | 1098.73 | J/mol×K | 996.88 | Joback Calculated Property |
| Cp,gas | 1111.04 | J/mol×K | 1029.44 | Joback Calculated Property |
| Cp,gas | 1122.57 | J/mol×K | 1062.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester.
Sources
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