Chemical Properties of Isophthalic acid, 2,5-dimethylphenyl isohexyl ester

Isophthalic acid, 2,5-dimethylphenyl isohexyl ester

InChI
InChI=1S/C22H26O4/c1-15(2)7-6-12-25-21(23)18-8-5-9-19(14-18)22(24)26-20-13-16(3)10-11-17(20)4/h5,8-11,13-15H,6-7,12H2,1-4H3
InChI Key
HGMIBFGECYUHNB-UHFFFAOYSA-N
Formula
C22H26O4
SMILES
Cc1ccc(C)c(OC(=O)c2cccc(C(=O)OCCCC(C)C)c2)c1
Molecular Weight1
354.45
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Physical Properties

Property Value Unit Source
ΔfusH° 44.87 kJ/mol Joback Calculated Property
log10WS -5.88 Relay (1.0) Calculated Property
logPoct/wat 5.116 Crippen Calculated Property
McVol 288.200 ml/mol McGowan Calculated Property
Tboil 671.75 K Relay (1.0) Calculated Property
Tfus 313.80 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 [885.11; 950.91] J/mol×K [887.26; 1108.45] Show Hide
Cp,gas 885.11 J/mol×K 887.26 Joback Calculated Property
Cp,gas 899.62 J/mol×K 924.13 Joback Calculated Property
Cp,gas 912.66 J/mol×K 960.99 Joback Calculated Property
Cp,gas 924.28 J/mol×K 997.86 Joback Calculated Property
Cp,gas 934.51 J/mol×K 1034.72 Joback Calculated Property
Cp,gas 943.37 J/mol×K 1071.59 Joback Calculated Property
Cp,gas 950.91 J/mol×K 1108.45 Joback Calculated Property
η [0.0000306; 0.0004756] Pa×s [497.76; 887.26] Show Hide
η 0.0004756 Pa×s 497.76 Joback Calculated Property
η 0.0002312 Pa×s 562.68 Joback Calculated Property
η 0.0001305 Pa×s 627.59 Joback Calculated Property
η 0.0000820 Pa×s 692.51 Joback Calculated Property
η 0.0000558 Pa×s 757.43 Joback Calculated Property
η 0.0000403 Pa×s 822.34 Joback Calculated Property
η 0.0000306 Pa×s 887.26 Joback Calculated Property

Similar Compounds

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

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

Sources

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