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

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

InChI
InChI=1S/C16H20BrFO4/c1-4-5-6-9-21-14(19)16(2,3)15(20)22-13-8-7-11(18)10-12(13)17/h7-8,10H,4-6,9H2,1-3H3
InChI Key
PCVXHMAKAJWUOT-UHFFFAOYSA-N
Formula
C16H20BrFO4
SMILES
CCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)cc1Br
Molecular Weight1
375.23
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Physical Properties

Property Value Unit Source
ΔfusH° 36.98 kJ/mol Joback Calculated Property
logPoct/wat 4.253 Crippen Calculated Property
McVol 246.690 ml/mol McGowan Calculated Property
Inp 2009.00 NIST
Tboil 595.07 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [695.59; 760.20] J/mol×K [816.90; 1030.99] Show Hide
Cp,gas 695.59 J/mol×K 816.90 Joback Calculated Property
Cp,gas 708.71 J/mol×K 852.58 Joback Calculated Property
Cp,gas 720.83 J/mol×K 888.26 Joback Calculated Property
Cp,gas 732.01 J/mol×K 923.94 Joback Calculated Property
Cp,gas 742.27 J/mol×K 959.63 Joback Calculated Property
Cp,gas 751.65 J/mol×K 995.31 Joback Calculated Property
Cp,gas 760.20 J/mol×K 1030.99 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl octyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl butyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isohexyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isobutyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl ethyl ester. Dimethylmalonic acid, pentyl phenyl ester. Sebacic acid, 2-bromo-4-fluorophenyl pentyl ester. Sebacic acid, 2-bromo-4-fluorophenyl nonyl ester. Sebacic acid, 2-bromo-4-fluorophenyl undecyl ester. Sebacic acid, 2-bromo-4-fluorophenyl decyl ester. Sebacic acid, 2-bromo-4-fluorophenyl hexyl ester. Sebacic acid, 2-bromo-4-fluorophenyl octyl ester.

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

Sources

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