Chemical Properties of Diethylmalonic acid, hexyl 4-trifluoromethylbenzyl ester

Diethylmalonic acid, hexyl 4-trifluoromethylbenzyl ester

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InChI
InChI=1S/C21H29F3O4/c1-4-7-8-9-14-27-18(25)20(5-2,6-3)19(26)28-15-16-10-12-17(13-11-16)21(22,23)24/h10-13H,4-9,14-15H2,1-3H3
InChI Key
JGODUDZMZWRXBW-UHFFFAOYSA-N
Formula
C21H29F3O4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(C(F)(F)F)cc1
Molecular Weight1
402.45
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Physical Properties

Property Value Unit Source
Δf -817.87 kJ/mol Joback Calculated Property
Δfgas -1347.14 kJ/mol Joback Calculated Property
Δfus 43.78 kJ/mol Joback Calculated Property
Δvap 78.55 kJ/mol Joback Calculated Property
log10WS -6.38 Crippen Calculated Property
logPoct/wat 5.678 Crippen Calculated Property
McVol 303.180 ml/mol McGowan Calculated Property
Pc 1170.42 kPa Joback Calculated Property
Inp 2128.00 NIST
Tboil 855.47 K Joback Calculated Property
Tc 1053.89 K Joback Calculated Property
Tfus 516.30 K Joback Calculated Property
Vc 1.183 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [960.69; 1038.07] J/mol×K [855.47; 1053.89] Show Hide
Cp,gas 960.69 J/mol×K 855.47 Joback Calculated Property
Cp,gas 976.07 J/mol×K 888.54 Joback Calculated Property
Cp,gas 990.38 J/mol×K 921.61 Joback Calculated Property
Cp,gas 1003.68 J/mol×K 954.68 Joback Calculated Property
Cp,gas 1016.02 J/mol×K 987.75 Joback Calculated Property
Cp,gas 1027.46 J/mol×K 1020.82 Joback Calculated Property
Cp,gas 1038.07 J/mol×K 1053.89 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, octyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, heptyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, propyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, 4-chlorobenzyl tridecyl ester. Diethylmalonic acid, 4-chlorobenzyl heptyl ester. Diethylmalonic acid, 4-chlorobenzyl undecyl ester. Diethylmalonic acid, 4-chlorobenzyl octyl ester. Diethylmalonic acid, 4-chlorobenzyl nonyl ester. Diethylmalonic acid, 4-chlorobenzyl tetradecyl ester. Diethylmalonic acid, 4-chlorobenzyl dodecyl ester. Diethylmalonic acid, 4-chlorobenzyl decyl ester. Diethylmalonic acid, 4-chlorobenzyl hexyl ester.

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

Sources

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