Chemical Properties of Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester

Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester

InChI
InChI=1S/C14H16BrFO4/c1-4-7-19-12(17)14(2,3)13(18)20-11-6-5-9(16)8-10(11)15/h5-6,8H,4,7H2,1-3H3
InChI Key
WCEYACRHXILLMS-UHFFFAOYSA-N
Formula
C14H16BrFO4
SMILES
CCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)cc1Br
Molecular Weight1
347.18
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Physical Properties

Property Value Unit Source
Δfus 31.80 kJ/mol Joback Calculated Property
logPoct/wat 3.473 Crippen Calculated Property
McVol 218.510 ml/mol McGowan Calculated Property
Inp [1829.00; 1829.00]   Show Hide
Inp 1829.00 NIST
Inp 1829.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [586.34; 647.53] J/mol×K [771.14; 989.79] Show Hide
Cp,gas 586.34 J/mol×K 771.14 Joback Calculated Property
Cp,gas 598.80 J/mol×K 807.58 Joback Calculated Property
Cp,gas 610.30 J/mol×K 844.02 Joback Calculated Property
Cp,gas 620.89 J/mol×K 880.47 Joback Calculated Property
Cp,gas 630.61 J/mol×K 916.91 Joback Calculated Property
Cp,gas 639.47 J/mol×K 953.35 Joback Calculated Property
Cp,gas 647.53 J/mol×K 989.79 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-bromo-4-fluorophenyl isobutyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl butyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl ethyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl octyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isohexyl ester. Dimethylmalonic acid, di(2-bromo-4-fluorophenyl) ester. Sebacic acid, 2-bromo-4-fluorophenyl isobutyl ester. Sebacic acid, 2-bromo-4-fluorophenyl propyl ester. Dimethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, 4-chlorophenyl propyl ester. Sebacic acid, 2-bromo-4-fluorophenyl butyl ester. Sebacic acid, 2-bromo-4-fluorophenyl pentyl ester.

Find more compounds similar to Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester.

Sources

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