Chemical Properties of Diethylmalonic acid, 4-chlorophenyl isobutyl ester

Diethylmalonic acid, 4-chlorophenyl isobutyl ester

InChI
InChI=1S/C17H23ClO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-9-7-13(18)8-10-14/h7-10,12H,5-6,11H2,1-4H3
InChI Key
AXRQEFGKYWJMEY-UHFFFAOYSA-N
Formula
C17H23ClO4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccc(Cl)cc1
Molecular Weight1
326.81
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Physical Properties

Property Value Unit Source
ΔfH°gas -806.57 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.44 kJ/mol Joback Calculated Property
ΔvapH° 92.03 kJ/mol Relay (1.0) Calculated Property
IE 8.47 eV Relay (1.0) Calculated Property
logPoct/wat 4.251 Crippen Calculated Property
McVol 253.750 ml/mol McGowan Calculated Property
Inp 1992.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [723.25; 796.68] J/mol×K [770.42; 981.36] Show Hide
Cp,gas 723.25 J/mol×K 770.42 Joback Calculated Property
Cp,gas 738.38 J/mol×K 805.58 Joback Calculated Property
Cp,gas 752.30 J/mol×K 840.73 Joback Calculated Property
Cp,gas 765.05 J/mol×K 875.89 Joback Calculated Property
Cp,gas 776.67 J/mol×K 911.05 Joback Calculated Property
Cp,gas 787.20 J/mol×K 946.21 Joback Calculated Property
Cp,gas 796.68 J/mol×K 981.36 Joback Calculated Property
η [0.0000424; 0.0011975] Pa×s [422.29; 770.42] Show Hide
η 0.0011975 Pa×s 422.29 Joback Calculated Property
η 0.0004902 Pa×s 480.31 Joback Calculated Property
η 0.0002433 Pa×s 538.33 Joback Calculated Property
η 0.0001384 Pa×s 596.36 Joback Calculated Property
η 0.0000870 Pa×s 654.38 Joback Calculated Property
η 0.0000590 Pa×s 712.40 Joback Calculated Property
η 0.0000424 Pa×s 770.42 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-chlorophenyl propyl ester. Diethylmalonic acid, 2,4-dichlorophenyl isobutyl ester. Diethylmalonic acid, 2-chlorophenyl isobutyl ester. Diethylmalonic acid, isobutyl 4-methoxyphenyl ester. Diethylmalonic acid, butyl 4-chlorophenyl ester. Diethylmalonic acid, 4-bromophenyl isobutyl ester. Diethylmalonic acid, 4-chlorophenyl pentyl ester. Diethylmalonic acid, isobutyl 3-methoxyphenyl ester. Diethylmalonic acid, 4-chlorophenyl hexyl ester. Diethylmalonic acid, 4-cyanophenyl isobutyl ester. Diethylmalonic acid, 4-chlorophenyl ethyl ester. Diethylmalonic acid, 4-chlorophenyl tetradecyl ester. Diethylmalonic acid, 4-chlorophenyl decyl ester. Diethylmalonic acid, 4-chlorophenyl tridecyl ester. Diethylmalonic acid, 4-chlorophenyl dodecyl ester.

Find more compounds similar to Diethylmalonic acid, 4-chlorophenyl isobutyl ester.

Sources

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