Chemical Properties of Diethylmalonic acid, butyl 2,3,6-trichlorophenyl ester

Diethylmalonic acid, butyl 2,3,6-trichlorophenyl ester

InChI
InChI=1S/C17H21Cl3O4/c1-4-7-10-23-15(21)17(5-2,6-3)16(22)24-14-12(19)9-8-11(18)13(14)20/h8-9H,4-7,10H2,1-3H3
InChI Key
OROBCZUVINWAJN-UHFFFAOYSA-N
Formula
C17H21Cl3O4
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)ccc(Cl)c1Cl
Molecular Weight1
395.70
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Physical Properties

Property Value Unit Source
ΔfH°gas -804.69 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.57 kJ/mol Joback Calculated Property
ΔvapH° 103.88 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.702 Crippen Calculated Property
McVol 278.230 ml/mol McGowan Calculated Property
Inp [2413.00; 2413.00]   Show Hide
Inp 2413.00 NIST
Inp 2413.00 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, 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 [769.70; 825.73] J/mol×K [855.68; 1072.49] Show Hide
Cp,gas 769.70 J/mol×K 855.68 Joback Calculated Property
Cp,gas 781.76 J/mol×K 891.81 Joback Calculated Property
Cp,gas 792.69 J/mol×K 927.95 Joback Calculated Property
Cp,gas 802.52 J/mol×K 964.08 Joback Calculated Property
Cp,gas 811.28 J/mol×K 1000.22 Joback Calculated Property
Cp,gas 819.00 J/mol×K 1036.35 Joback Calculated Property
Cp,gas 825.73 J/mol×K 1072.49 Joback Calculated Property
η [0.0000333; 0.0003980] Pa×s [522.17; 855.68] Show Hide
η 0.0003980 Pa×s 522.17 Joback Calculated Property
η 0.0002157 Pa×s 577.76 Joback Calculated Property
η 0.0001302 Pa×s 633.34 Joback Calculated Property
η 0.0000852 Pa×s 688.93 Joback Calculated Property
η 0.0000594 Pa×s 744.51 Joback Calculated Property
η 0.0000436 Pa×s 800.10 Joback Calculated Property
η 0.0000333 Pa×s 855.68 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, pentyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, hexyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, heptyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, nonyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, octyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, propyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, butyl 2,6-dichlorophenyl ester. Diethylmalonic acid, butyl 2,3-dichlorophenyl ester. Diethylmalonic acid, butyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, 2,6-dichlorophenyl pentyl ester. Diethylmalonic acid, 2,3-dichlorophenyl pentyl ester. Diethylmalonic acid, pentyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, butyl 2,4,5-trichlorophenyl ester. Diethylmalonic acid, isobutyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, 2,6-dichlorophenyl hexyl ester.

Find more compounds similar to Diethylmalonic acid, butyl 2,3,6-trichlorophenyl ester.

Sources

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