- InChI
- InChI=1S/C17H20F4O4/c1-4-5-6-10-24-14(22)16(2,3)15(23)25-12-9-7-8-11(13(12)18)17(19,20)21/h7-9H,4-6,10H2,1-3H3
- InChI Key
- RFUKWHMVNPHKTF-UHFFFAOYSA-N
- Formula
- C17H20F4O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)Oc1cccc
(C(F)(F)F)c1F - Molecular Weight1
- 364.33
- 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° | -1055.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1472.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 4.510 | Crippen Calculated Property | |
| McVol | 248.590 | ml/mol | McGowan Calculated Property |
| Pc | 1480.43 | kPa | Joback Calculated Property |
| Inp | 1770.00 | NIST | |
| Tboil | 768.20 | K | Joback Calculated Property |
| Tc | 960.27 | K | Joback Calculated Property |
| Tfus | 484.33 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.95; 807.26] | J/mol×K | [768.20; 960.27] | 
|
| Cp,gas | 737.95 | J/mol×K | 768.20 | Joback Calculated Property |
| Cp,gas | 751.69 | J/mol×K | 800.21 | Joback Calculated Property |
| Cp,gas | 764.51 | J/mol×K | 832.22 | Joback Calculated Property |
| Cp,gas | 776.43 | J/mol×K | 864.23 | Joback Calculated Property |
| Cp,gas | 787.51 | J/mol×K | 896.25 | Joback Calculated Property |
| Cp,gas | 797.77 | J/mol×K | 928.26 | Joback Calculated Property |
| Cp,gas | 807.26 | J/mol×K | 960.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester.
Sources
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