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

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

InChI
InChI=1S/C21H23ClO4/c1-14(2)6-5-11-25-20(23)16-7-4-8-17(13-16)21(24)26-19-12-15(3)9-10-18(19)22/h4,7-10,12-14H,5-6,11H2,1-3H3
InChI Key
ANXSWQNHBUZXEO-UHFFFAOYSA-N
Formula
C21H23ClO4
SMILES
Cc1ccc(Cl)c(OC(=O)c2cccc(C(=O)OCCCC(C)C)c2)c1
Molecular Weight1
374.86
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Physical Properties

Property Value Unit Source
ΔfusH° 46.47 kJ/mol Joback Calculated Property
log10WS -6.33 Relay (1.0) Calculated Property
logPoct/wat 5.461 Crippen Calculated Property
McVol 286.350 ml/mol McGowan Calculated Property
Inp 2799.00 NIST
Tboil 667.67 K Relay (1.0) Calculated Property
Tfus 324.34 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 [850.78; 907.77] J/mol×K [901.81; 1127.95] Show Hide
Cp,gas 850.78 J/mol×K 901.81 Joback Calculated Property
Cp,gas 863.76 J/mol×K 939.50 Joback Calculated Property
Cp,gas 875.29 J/mol×K 977.19 Joback Calculated Property
Cp,gas 885.43 J/mol×K 1014.88 Joback Calculated Property
Cp,gas 894.20 J/mol×K 1052.57 Joback Calculated Property
Cp,gas 901.63 J/mol×K 1090.26 Joback Calculated Property
Cp,gas 907.77 J/mol×K 1127.95 Joback Calculated Property
η [0.0000303; 0.0004238] Pa×s [516.41; 901.81] Show Hide
η 0.0004238 Pa×s 516.41 Joback Calculated Property
η 0.0002140 Pa×s 580.64 Joback Calculated Property
η 0.0001238 Pa×s 644.88 Joback Calculated Property
η 0.0000791 Pa×s 709.11 Joback Calculated Property
η 0.0000545 Pa×s 773.34 Joback Calculated Property
η 0.0000397 Pa×s 837.58 Joback Calculated Property
η 0.0000303 Pa×s 901.81 Joback Calculated Property

Similar Compounds

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

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

Sources

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