Chemical Properties of Adipic acid, isobutyl 3,4,5-trichlorophenyl ester

Adipic acid, isobutyl 3,4,5-trichlorophenyl ester

InChI
InChI=1S/C16H19Cl3O4/c1-10(2)9-22-14(20)5-3-4-6-15(21)23-11-7-12(17)16(19)13(18)8-11/h7-8,10H,3-6,9H2,1-2H3
InChI Key
MWJQGLPLLVILPA-UHFFFAOYSA-N
Formula
C16H19Cl3O4
SMILES
CC(C)COC(=O)CCCCC(=O)Oc1cc(Cl)c(Cl)c(Cl)c1
Molecular Weight1
381.68
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Physical Properties

Property Value Unit Source
ΔfH°gas -849.11 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 47.88 kJ/mol Joback Calculated Property
ΔvapH° 100.89 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.312 Crippen Calculated Property
McVol 264.140 ml/mol McGowan Calculated Property
Pc 1524.69 kPa Joback Calculated Property
Inp 2569.00 NIST
Tboil 636.18 K Relay (1.0) Calculated Property
Tc 874.61 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [713.12; 767.79] J/mol×K [835.59; 1048.93] Show Hide
Cp,gas 713.12 J/mol×K 835.59 Joback Calculated Property
Cp,gas 724.98 J/mol×K 871.15 Joback Calculated Property
Cp,gas 735.73 J/mol×K 906.70 Joback Calculated Property
Cp,gas 745.37 J/mol×K 942.26 Joback Calculated Property
Cp,gas 753.92 J/mol×K 977.81 Joback Calculated Property
Cp,gas 761.39 J/mol×K 1013.37 Joback Calculated Property
Cp,gas 767.79 J/mol×K 1048.93 Joback Calculated Property
η [0.0000450; 0.0005544] Pa×s [493.48; 835.59] Show Hide
η 0.0005544 Pa×s 493.48 Joback Calculated Property
η 0.0002936 Pa×s 550.50 Joback Calculated Property
η 0.0001752 Pa×s 607.52 Joback Calculated Property
η 0.0001143 Pa×s 664.53 Joback Calculated Property
η 0.0000797 Pa×s 721.55 Joback Calculated Property
η 0.0000586 Pa×s 778.57 Joback Calculated Property
η 0.0000450 Pa×s 835.59 Joback Calculated Property

Similar Compounds

Sebacic acid, isobutyl 3,4,5-trichlorophenyl ester. Pimelic acid, 3,4-dichlorophenyl isobutyl ester. Glutaric acid, isobutyl 3,4,5-trichlorophenyl ester. Adipic acid, propyl 3,4,5-trichlorophenyl ester. Sebacic acid, propyl 3,4,5-trichlorophenyl ester. Sebacic acid, 3,5-dichlorophenyl isobutyl ester. Adipic acid, butyl 3,4,5-trichlorophenyl ester. Adipic acid, pentyl 3,4,5-trichlorophenyl ester. Sebacic acid, butyl 3,4,5-trichlorophenyl ester. Sebacic acid, pentyl 3,4,5-trichlorophenyl ester. Adipic acid, hexyl 3,4,5-trichlorophenyl ester. Sebacic acid, octyl 3,4,5-trichlorophenyl ester. Sebacic acid, hexyl 3,4,5-trichlorophenyl ester. Sebacic acid, heptyl 3,4,5-trichlorophenyl ester. Adipic acid, heptyl 3,4,5-trichlorophenyl ester.

Find more compounds similar to Adipic acid, isobutyl 3,4,5-trichlorophenyl ester.

Sources

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