- InChI
- InChI=1S/C15H17F3O4/c1-4-5-8-21-13(19)15(2,3)14(20)22-10-7-6-9(16)11(17)12(10)18/h6-7H,4-5,8H2,1-3H3
- InChI Key
- MFYQGRFBTUIZGZ-UHFFFAOYSA-N
- Formula
- C15H17F3O4
- SMILES
-
CCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F
)c(F)c1F - Molecular Weight1
- 318.29
- 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° | -890.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1237.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 3.379 | Crippen Calculated Property | |
| McVol | 218.640 | ml/mol | McGowan Calculated Property |
| Pc | 1741.91 | kPa | Joback Calculated Property |
| Inp | 1670.00 | NIST | |
| Tboil | 731.38 | K | Joback Calculated Property |
| Tc | 924.50 | K | Joback Calculated Property |
| Tfus | 471.30 | K | Joback Calculated Property |
| Vc | 0.859 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.67; 684.65] | J/mol×K | [731.38; 924.50] | 
|
| Cp,gas | 617.67 | J/mol×K | 731.38 | Joback Calculated Property |
| Cp,gas | 630.86 | J/mol×K | 763.57 | Joback Calculated Property |
| Cp,gas | 643.23 | J/mol×K | 795.75 | Joback Calculated Property |
| Cp,gas | 654.77 | J/mol×K | 827.94 | Joback Calculated Property |
| Cp,gas | 665.51 | J/mol×K | 860.13 | Joback Calculated Property |
| Cp,gas | 675.47 | J/mol×K | 892.31 | Joback Calculated Property |
| Cp,gas | 684.65 | J/mol×K | 924.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, butyl 2,3,4-trifluorophenyl ester.
Sources
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