- InChI
- InChI=1S/C17H21F3O4/c1-5-17(6-2,15(21)23-9-10(3)4)16(22)24-12-8-7-11(18)13(19)14(12)20/h7-8,10H,5-6,9H2,1-4H3
- InChI Key
- VBMAIHAKMZNNPC-UHFFFAOYSA-N
- Formula
- C17H21F3O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc(F)c(F)c1F - Molecular Weight1
- 346.34
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7477 | Relay (1.0) Calculated Property | |
| ΔfG° | -876.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1285.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.015 | Crippen Calculated Property | |
| McVol | 246.820 | ml/mol | McGowan Calculated Property |
| Pc | 1502.31 | kPa | Joback Calculated Property |
| Inp | 1784.00 | NIST | |
| Tboil | 568.05 | K | Relay (1.0) Calculated Property |
| Tc | 766.04 | K | Relay (1.0) Calculated Property |
| Tfus | 316.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.890 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.03; 799.04] | J/mol×K | [776.70; 970.93] | 
|
| Cp,gas | 728.03 | J/mol×K | 776.70 | Joback Calculated Property |
| Cp,gas | 742.14 | J/mol×K | 809.07 | Joback Calculated Property |
| Cp,gas | 755.31 | J/mol×K | 841.44 | Joback Calculated Property |
| Cp,gas | 767.57 | J/mol×K | 873.81 | Joback Calculated Property |
| Cp,gas | 778.93 | J/mol×K | 906.18 | Joback Calculated Property |
| Cp,gas | 789.41 | J/mol×K | 938.55 | Joback Calculated Property |
| Cp,gas | 799.04 | J/mol×K | 970.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2,3,4-trifluorophenyl ester.
Sources
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