- InChI
- InChI=1S/C14H22BrF3O4/c1-4-5-6-7-8-21-11(19)13(2,3)12(20)22-10(9-15)14(16,17)18/h10H,4-9H2,1-3H3
- InChI Key
- DZKNTSRXMPOANL-UHFFFAOYSA-N
- Formula
- C14H22BrF3O4
- SMILES
-
CCCCCCOC(=O)C(C)(C)C(=O)OC(CBr
)C(F)(F)F - Molecular Weight1
- 391.22
- 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° | -967.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1406.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.07 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 4.005 | Crippen Calculated Property | |
| McVol | 245.810 | ml/mol | McGowan Calculated Property |
| Pc | 1612.88 | kPa | Joback Calculated Property |
| Inp | 1624.00 | NIST | |
| Tboil | 729.37 | K | Joback Calculated Property |
| Tc | 915.17 | K | Joback Calculated Property |
| Tfus | 443.27 | K | Joback Calculated Property |
| Vc | 0.956 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.01; 766.47] | J/mol×K | [729.37; 915.17] | 
|
| Cp,gas | 696.01 | J/mol×K | 729.37 | Joback Calculated Property |
| Cp,gas | 709.73 | J/mol×K | 760.34 | Joback Calculated Property |
| Cp,gas | 722.60 | J/mol×K | 791.30 | Joback Calculated Property |
| Cp,gas | 734.68 | J/mol×K | 822.27 | Joback Calculated Property |
| Cp,gas | 745.98 | J/mol×K | 853.23 | Joback Calculated Property |
| Cp,gas | 756.57 | J/mol×K | 884.20 | Joback Calculated Property |
| Cp,gas | 766.47 | J/mol×K | 915.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester.
Sources
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