Chemical Properties of Dimethylmalonic acid, butyl 2,4,6-trichlorophenyl ester

Dimethylmalonic acid, butyl 2,4,6-trichlorophenyl ester

InChI
InChI=1S/C15H17Cl3O4/c1-4-5-6-21-13(19)15(2,3)14(20)22-12-10(17)7-9(16)8-11(12)18/h7-8H,4-6H2,1-3H3
InChI Key
WKDWODBQRJVSHX-UHFFFAOYSA-N
Formula
C15H17Cl3O4
SMILES
CCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1Cl
Molecular Weight1
367.65
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Physical Properties

Property Value Unit Source
ΔfH°gas -779.21 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.39 kJ/mol Joback Calculated Property
ΔvapH° 92.11 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.922 Crippen Calculated Property
McVol 250.050 ml/mol McGowan Calculated Property
Inp [2168.00; 2168.00]   Show Hide
Inp 2168.00 NIST
Inp 2168.00 NIST
Tboil 577.99 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [659.38; 713.32] J/mol×K [809.92; 1030.42] Show Hide
Cp,gas 659.38 J/mol×K 809.92 Joback Calculated Property
Cp,gas 671.00 J/mol×K 846.67 Joback Calculated Property
Cp,gas 681.53 J/mol×K 883.42 Joback Calculated Property
Cp,gas 691.00 J/mol×K 920.17 Joback Calculated Property
Cp,gas 699.43 J/mol×K 956.92 Joback Calculated Property
Cp,gas 706.86 J/mol×K 993.67 Joback Calculated Property
Cp,gas 713.32 J/mol×K 1030.42 Joback Calculated Property
η [0.0000454; 0.0005033] Pa×s [499.63; 809.92] Show Hide
η 0.0005033 Pa×s 499.63 Joback Calculated Property
η 0.0002793 Pa×s 551.35 Joback Calculated Property
η 0.0001715 Pa×s 603.06 Joback Calculated Property
η 0.0001137 Pa×s 654.78 Joback Calculated Property
η 0.0000801 Pa×s 706.49 Joback Calculated Property
η 0.0000592 Pa×s 758.21 Joback Calculated Property
η 0.0000454 Pa×s 809.92 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, pentyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, hexyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, heptadecyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, nonyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, 2,4,6-trichlorophenyl tridecyl ester. Dimethylmalonic acid, decyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, 2,4,6-trichlorophenyl undecyl ester. Dimethylmalonic acid, octyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, pentadecyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, hexadecyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, heptyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, propyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, isohexyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, isobutyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, butyl 2,3-dichlorophenyl ester.

Find more compounds similar to Dimethylmalonic acid, butyl 2,4,6-trichlorophenyl ester.

Sources

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