- InChI
- InChI=1S/C19H32BrF3O4/c1-4-7-8-9-10-11-12-13-26-16(24)18(5-2,6-3)17(25)27-15(14-20)19(21,22)23/h15H,4-14H2,1-3H3
- InChI Key
- OIIGMPVTPDFKGL-UHFFFAOYSA-N
- Formula
- C19H32BrF3O4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
C(CBr)C(F)(F)F - Molecular Weight1
- 461.35
- 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° | -925.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1509.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.20 | kJ/mol | Joback Calculated Property |
| log10WS | -6.47 | Crippen Calculated Property | |
| logPoct/wat | 5.956 | Crippen Calculated Property | |
| McVol | 316.260 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | 2038.00 | NIST | |
| Tboil | 843.77 | K | Joback Calculated Property |
| Tc | 1035.73 | K | Joback Calculated Property |
| Tfus | 499.62 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.95; 1060.97] | J/mol×K | [843.77; 1035.73] | 
|
| Cp,gas | 980.95 | J/mol×K | 843.77 | Joback Calculated Property |
| Cp,gas | 996.55 | J/mol×K | 875.76 | Joback Calculated Property |
| Cp,gas | 1011.17 | J/mol×K | 907.76 | Joback Calculated Property |
| Cp,gas | 1024.87 | J/mol×K | 939.75 | Joback Calculated Property |
| Cp,gas | 1037.70 | J/mol×K | 971.74 | Joback Calculated Property |
| Cp,gas | 1049.71 | J/mol×K | 1003.74 | Joback Calculated Property |
| Cp,gas | 1060.97 | J/mol×K | 1035.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester.
Sources
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