Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester

Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester

InChI
InChI=1S/C15H18ClFO4/c1-9(2)8-20-13(18)15(3,4)14(19)21-12-10(16)6-5-7-11(12)17/h5-7,9H,8H2,1-4H3
InChI Key
PFZBZSSTOKJGPF-UHFFFAOYSA-N
Formula
C15H18ClFO4
SMILES
CC(C)COC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
316.75
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Physical Properties

Property Value Unit Source
Δfus 29.78 kJ/mol Joback Calculated Property
logPoct/wat 3.610 Crippen Calculated Property
McVol 227.340 ml/mol McGowan Calculated Property
Inp [1837.00; 1837.00]   Show Hide
Inp 1837.00 NIST
Inp 1837.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [629.39; 695.87] J/mol×K [764.85; 977.53] Show Hide
Cp,gas 629.39 J/mol×K 764.85 Joback Calculated Property
Cp,gas 642.88 J/mol×K 800.30 Joback Calculated Property
Cp,gas 655.37 J/mol×K 835.74 Joback Calculated Property
Cp,gas 666.89 J/mol×K 871.19 Joback Calculated Property
Cp,gas 677.46 J/mol×K 906.64 Joback Calculated Property
Cp,gas 687.11 J/mol×K 942.08 Joback Calculated Property
Cp,gas 695.87 J/mol×K 977.53 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-chloro-6-fluorophenyl propyl ester. Dimethylmalonic acid, butyl 2-chloro-6-fluorophenyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl ethyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl isohexyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl decyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl heptadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl pentadecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester. Dimethylmalonic acid, 2-chloro-6-fluorophenyl hexadecyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl isobutyl ester.

Sources

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