Chemical Properties of Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester

Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C14H23F3O4/c1-6-13(7-2,11(18)20-8-9(3)4)12(19)21-10(5)14(15,16)17/h9-10H,6-8H2,1-5H3
InChI Key
CAPXWQRHMYIMDV-UHFFFAOYSA-N
Formula
C14H23F3O4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)OC(C)C(F)(F)F
Molecular Weight1
312.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -1603.67 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.12 kJ/mol Joback Calculated Property
ΔvapH° 69.07 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.486 Crippen Calculated Property
McVol 228.310 ml/mol McGowan Calculated Property
Inp [1295.00; 1295.00]   Show Hide
Inp 1295.00 NIST
Inp 1295.00 NIST
Tboil 500.22 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [638.72; 721.24] J/mol×K [626.83; 798.97] Show Hide
Cp,gas 638.72 J/mol×K 626.83 Joback Calculated Property
Cp,gas 654.65 J/mol×K 655.52 Joback Calculated Property
Cp,gas 669.67 J/mol×K 684.21 Joback Calculated Property
Cp,gas 683.82 J/mol×K 712.90 Joback Calculated Property
Cp,gas 697.10 J/mol×K 741.59 Joback Calculated Property
Cp,gas 709.57 J/mol×K 770.28 Joback Calculated Property
Cp,gas 721.24 J/mol×K 798.97 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, butyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, isobutyl isopropyl ester. Diethylmalonic acid, pentyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, octadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, pentadecyl 1,1,1-trifluoroprop-2-yl ester.

Find more compounds similar to Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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