Chemical Properties of Isophthalic acid, 2-chloro-5-methylphenyl isobutyl ester

Isophthalic acid, 2-chloro-5-methylphenyl isobutyl ester

InChI
InChI=1S/C19H19ClO4/c1-12(2)11-23-18(21)14-5-4-6-15(10-14)19(22)24-17-9-13(3)7-8-16(17)20/h4-10,12H,11H2,1-3H3
InChI Key
BXDMZRTXAICUAB-UHFFFAOYSA-N
Formula
C19H19ClO4
SMILES
Cc1ccc(Cl)c(OC(=O)c2cccc(C(=O)OCC(C)C)c2)c1
Molecular Weight1
346.81
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Physical Properties

Property Value Unit Source
ΔfusH° 41.29 kJ/mol Joback Calculated Property
log10WS -5.68 Relay (1.0) Calculated Property
logPoct/wat 4.680 Crippen Calculated Property
McVol 258.170 ml/mol McGowan Calculated Property
Inp 2598.00 NIST
Tboil 653.91 K Relay (1.0) Calculated Property
Tfus 336.16 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [737.01; 794.19] J/mol×K [856.05; 1086.16] Show Hide
Cp,gas 737.01 J/mol×K 856.05 Joback Calculated Property
Cp,gas 749.95 J/mol×K 894.40 Joback Calculated Property
Cp,gas 761.48 J/mol×K 932.75 Joback Calculated Property
Cp,gas 771.64 J/mol×K 971.10 Joback Calculated Property
Cp,gas 780.46 J/mol×K 1009.46 Joback Calculated Property
Cp,gas 787.97 J/mol×K 1047.81 Joback Calculated Property
Cp,gas 794.19 J/mol×K 1086.16 Joback Calculated Property
η [0.0000404; 0.0005285] Pa×s [493.87; 856.05] Show Hide
η 0.0005285 Pa×s 493.87 Joback Calculated Property
η 0.0002727 Pa×s 554.23 Joback Calculated Property
η 0.0001602 Pa×s 614.60 Joback Calculated Property
η 0.0001035 Pa×s 674.96 Joback Calculated Property
η 0.0000719 Pa×s 735.32 Joback Calculated Property
η 0.0000527 Pa×s 795.69 Joback Calculated Property
η 0.0000404 Pa×s 856.05 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-chloro-5-methylphenyl propyl ester. Isophthalic acid, butyl 2-chloro-5-methylphenyl ester. Isophthalic acid, 2-chloro-5-methylphenyl pentyl ester. Isophthalic acid, 2-chloro-5-methylphenyl hexyl ester. Isophthalic acid, 2-chloro-5-methylphenyl decyl ester. Isophthalic acid, 2-chloro-5-methylphenyl octyl ester. Isophthalic acid, 2-chloro-5-methylphenyl nonyl ester. Isophthalic acid, 2-chloro-5-methylphenyl heptyl ester. Isophthalic acid, 2-chloro-5-methylphenyl isohexyl ester. Isophthalic acid, 4-chloro-3-methylphenyl isobutyl ester. Isophthalic acid, 2,4-dichlorophenyl isobutyl ester. Isophthalic acid, 2,5-dichlorophenyl isobutyl ester. Isophthalic acid, isobutyl 3-methylphenyl ester. Isophthalic acid, 2,6-dichlorophenyl isobutyl ester. Isophthalic acid, isobutyl 2,3,5-trichlorophenyl ester.

Find more compounds similar to Isophthalic acid, 2-chloro-5-methylphenyl isobutyl ester.

Sources

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