Chemical Properties of Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester

Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester

InChI
InChI=1S/C19H25F3O4/c1-5-18(6-2,16(23)25-11-13(3)4)17(24)26-12-14-7-9-15(10-8-14)19(20,21)22/h7-10,13H,5-6,11-12H2,1-4H3
InChI Key
AUTUXSPXKHAABW-UHFFFAOYSA-N
Formula
C19H25F3O4
SMILES
CCC(CC)(C(=O)OCc1ccc(C(F)(F)F)cc1)C(=O)OCC(C)C
Molecular Weight1
374.39
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Physical Properties

Property Value Unit Source
Δfus 38.24 kJ/mol Joback Calculated Property
logPoct/wat 4.754 Crippen Calculated Property
McVol 275.000 ml/mol McGowan Calculated Property
Inp [1903.00; 1903.00]   Show Hide
Inp 1903.00 NIST
Inp 1903.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [832.81; 909.24] J/mol×K [773.33; 966.71] Show Hide
Cp,gas 832.81 J/mol×K 773.33 Joback Calculated Property
Cp,gas 848.23 J/mol×K 805.56 Joback Calculated Property
Cp,gas 862.50 J/mol×K 837.79 Joback Calculated Property
Cp,gas 875.69 J/mol×K 870.02 Joback Calculated Property
Cp,gas 887.84 J/mol×K 902.25 Joback Calculated Property
Cp,gas 899.01 J/mol×K 934.48 Joback Calculated Property
Cp,gas 909.24 J/mol×K 966.71 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, propyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, hexyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, octyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, heptyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, ethyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, 4-bromobenzyl isobutyl ester. Diethylmalonic acid, 4-chlorobenzyl isobutyl ester. Diethylmalonic acid, isobutyl 3-methylbenzyl ester. Diethylmalonic acid, 3-chlorobenzyl isobutyl ester. Diethylmalonic acid, 3-bromobenzyl isobutyl ester. Diethylmalonic acid, 4-bromobenzyl propyl ester. Diethylmalonic acid, 3-methylbenzyl propyl ester. Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester.

Find more compounds similar to Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester.

Sources

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