Chemical Properties of Diethylmalonic acid, 3-fluorophenyl isobutyl ester

Diethylmalonic acid, 3-fluorophenyl isobutyl ester

InChI
InChI=1S/C17H23FO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-9-7-8-13(18)10-14/h7-10,12H,5-6,11H2,1-4H3
InChI Key
BTPJXFROOBGCLD-UHFFFAOYSA-N
Formula
C17H23FO4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1cccc(F)c1
Molecular Weight1
310.36
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Physical Properties

Property Value Unit Source
Δfus 34.32 kJ/mol Joback Calculated Property
logPoct/wat 3.737 Crippen Calculated Property
McVol 243.280 ml/mol McGowan Calculated Property
Inp 1820.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [703.08; 781.80] J/mol×K [732.26; 932.50] Show Hide
Cp,gas 703.08 J/mol×K 732.26 Joback Calculated Property
Cp,gas 718.94 J/mol×K 765.63 Joback Calculated Property
Cp,gas 733.66 J/mol×K 799.01 Joback Calculated Property
Cp,gas 747.27 J/mol×K 832.38 Joback Calculated Property
Cp,gas 759.81 J/mol×K 865.75 Joback Calculated Property
Cp,gas 771.31 J/mol×K 899.13 Joback Calculated Property
Cp,gas 781.80 J/mol×K 932.50 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 3-fluorophenyl propyl ester. Diethylmalonic acid, 2-fluorophenyl isobutyl ester. Diethylmalonic acid, butyl 3-fluorophenyl ester. Diethylmalonic acid, 3-fluorophenyl pentyl ester. Diethylmalonic acid, 3-fluorophenyl nonyl ester. Diethylmalonic acid, decyl 3-fluorophenyl ester. Diethylmalonic acid, 3-fluorophenyl hexyl ester. Diethylmalonic acid, 3-fluorophenyl undecyl ester. Diethylmalonic acid, dodecyl 3-fluorophenyl ester. Diethylmalonic acid, 2-fluorophenyl propyl ester. Diethylmalonic acid, isobutyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, isobutyl 4-fluoro-2-methoxyphenyl ester. Diethylmalonic acid, butyl 2-fluorophenyl ester. Diethylmalonic acid, isobutyl 3-methoxyphenyl ester. Diethylmalonic acid, 4-chlorophenyl isobutyl ester.

Find more compounds similar to Diethylmalonic acid, 3-fluorophenyl isobutyl ester.

Sources

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