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

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

InChI
InChI=1S/C17H21Cl3O4/c1-10(2)6-5-7-23-15(21)17(3,4)16(22)24-14-12(19)8-11(18)9-13(14)20/h8-10H,5-7H2,1-4H3
InChI Key
NESQWCKSIZSKSL-UHFFFAOYSA-N
Formula
C17H21Cl3O4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1Cl
Molecular Weight1
395.70
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Physical Properties

Property Value Unit Source
Δfus 39.89 kJ/mol Joback Calculated Property
logPoct/wat 5.558 Crippen Calculated Property
McVol 278.230 ml/mol McGowan Calculated Property
Inp [2318.00; 2318.00]   Show Hide
Inp 2318.00 NIST
Inp 2318.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [778.49; 834.93] J/mol×K [891.18; 1114.69] Show Hide
Cp,gas 778.49 J/mol×K 891.18 Joback Calculated Property
Cp,gas 790.52 J/mol×K 928.43 Joback Calculated Property
Cp,gas 801.45 J/mol×K 965.68 Joback Calculated Property
Cp,gas 811.32 J/mol×K 1002.93 Joback Calculated Property
Cp,gas 820.17 J/mol×K 1040.19 Joback Calculated Property
Cp,gas 828.03 J/mol×K 1077.44 Joback Calculated Property
Cp,gas 834.93 J/mol×K 1114.69 Joback Calculated Property
η [0.0000393; 0.0003309] Pa×s [566.83; 891.18] Show Hide
η 0.0003309 Pa×s 566.83 Joback Calculated Property
η 0.0001987 Pa×s 620.89 Joback Calculated Property
η 0.0001295 Pa×s 674.95 Joback Calculated Property
η 0.0000899 Pa×s 729.00 Joback Calculated Property
η 0.0000657 Pa×s 783.06 Joback Calculated Property
η 0.0000499 Pa×s 837.12 Joback Calculated Property
η 0.0000393 Pa×s 891.18 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, pentyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, 2,4,6-trichlorophenyl undecyl ester. Dimethylmalonic acid, pentadecyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, 2,4,6-trichlorophenyl tridecyl ester. Dimethylmalonic acid, heptyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, nonyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, heptadecyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, octyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, decyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, hexadecyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, hexyl 2,4,6-trichlorophenyl ester. Dimethylmalonic acid, isohexyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl isohexyl ester. Dimethylmalonic acid, 2,5-dichlorophenyl isohexyl ester. Dimethylmalonic acid, butyl 2,4,6-trichlorophenyl ester.

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

Sources

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