Chemical Properties of Dimethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester

Dimethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester

InChI
InChI=1S/C15H17Cl3O4/c1-8(2)7-21-13(19)15(3,4)14(20)22-11-6-9(16)5-10(17)12(11)18/h5-6,8H,7H2,1-4H3
InChI Key
LFEZGRXARYBFLH-UHFFFAOYSA-N
Formula
C15H17Cl3O4
SMILES
CC(C)COC(=O)C(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1Cl
Molecular Weight1
367.66
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Physical Properties

Property Value Unit Source
ΔfH°gas -811.76 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.87 kJ/mol Joback Calculated Property
ΔvapH° 89.72 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.778 Crippen Calculated Property
McVol 250.050 ml/mol McGowan Calculated Property
Inp [2192.00; 2192.00]   Show Hide
Inp 2192.00 NIST
Inp 2192.00 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 [659.98; 714.25] J/mol×K [809.48; 1033.30] Show Hide
Cp,gas 659.98 J/mol×K 809.48 Joback Calculated Property
Cp,gas 671.77 J/mol×K 846.78 Joback Calculated Property
Cp,gas 682.42 J/mol×K 884.09 Joback Calculated Property
Cp,gas 691.96 J/mol×K 921.39 Joback Calculated Property
Cp,gas 700.42 J/mol×K 958.70 Joback Calculated Property
Cp,gas 707.85 J/mol×K 996.00 Joback Calculated Property
Cp,gas 714.25 J/mol×K 1033.30 Joback Calculated Property
η [0.0000417; 0.0005779] Pa×s [484.63; 809.48] Show Hide
η 0.0005779 Pa×s 484.63 Joback Calculated Property
η 0.0002993 Pa×s 538.77 Joback Calculated Property
η 0.0001747 Pa×s 592.91 Joback Calculated Property
η 0.0001116 Pa×s 647.06 Joback Calculated Property
η 0.0000764 Pa×s 701.20 Joback Calculated Property
η 0.0000553 Pa×s 755.34 Joback Calculated Property
η 0.0000417 Pa×s 809.48 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, propyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl isobutyl ester. Dimethylmalonic acid, 2,5-dichlorophenyl isobutyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl propyl ester. Dimethylmalonic acid, pentyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, 2,5-dichlorophenyl propyl ester. Diethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, heptyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, 2,3,5-trichlorophenyl undecyl ester. Dimethylmalonic acid, decyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, isohexyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, butyl 2,3-dichlorophenyl ester. Dimethylmalonic acid, butyl 2,5-dichlorophenyl ester. Dimethylmalonic acid, isobutyl 2,4,6-trichlorophenyl ester. Diethylmalonic acid, 2,3-dichlorophenyl isobutyl ester.

Find more compounds similar to Dimethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester.

Sources

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