Chemical Properties of Isophthalic acid, isohexyl 2-isopropoxyphenyl ester

Isophthalic acid, isohexyl 2-isopropoxyphenyl ester

InChI
InChI=1S/C23H28O5/c1-16(2)9-8-14-26-22(24)18-10-7-11-19(15-18)23(25)28-21-13-6-5-12-20(21)27-17(3)4/h5-7,10-13,15-17H,8-9,14H2,1-4H3
InChI Key
KFLONDAZBWJKAY-UHFFFAOYSA-N
Formula
C23H28O5
SMILES
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2ccccc2OC(C)C)c1
Molecular Weight1
384.47
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Physical Properties

Property Value Unit Source
ω 0.9989 Relay (1.0) Calculated Property
ΔfusH° 45.51 kJ/mol Joback Calculated Property
log10WS -5.56 Relay (1.0) Calculated Property
logPoct/wat 5.286 Crippen Calculated Property
McVol 308.160 ml/mol McGowan Calculated Property
Pc 1289.29 kPa Joback Calculated Property
Inp [2838.00; 2838.00]   Show Hide
Inp 2838.00 NIST
Inp 2838.00 NIST
Tboil 673.26 K Relay (1.0) Calculated Property
Tc 924.10 K Relay (1.0) Calculated Property
Tfus 320.99 K Relay (1.0) Calculated Property
Vc 1.137 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 [973.00; 1031.99] J/mol×K [927.14; 1149.38] Show Hide
Cp,gas 973.00 J/mol×K 927.14 Joback Calculated Property
Cp,gas 986.79 J/mol×K 964.18 Joback Calculated Property
Cp,gas 998.96 J/mol×K 1001.22 Joback Calculated Property
Cp,gas 1009.53 J/mol×K 1038.26 Joback Calculated Property
Cp,gas 1018.55 J/mol×K 1075.30 Joback Calculated Property
Cp,gas 1026.02 J/mol×K 1112.34 Joback Calculated Property
Cp,gas 1031.99 J/mol×K 1149.38 Joback Calculated Property
η [0.0000176; 0.0003895] Pa×s [503.74; 927.14] Show Hide
η 0.0003895 Pa×s 503.74 Joback Calculated Property
η 0.0001692 Pa×s 574.31 Joback Calculated Property
η 0.0000882 Pa×s 644.87 Joback Calculated Property
η 0.0000523 Pa×s 715.44 Joback Calculated Property
η 0.0000341 Pa×s 786.01 Joback Calculated Property
η 0.0000238 Pa×s 856.57 Joback Calculated Property
η 0.0000176 Pa×s 927.14 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-isopropoxyphenyl pentyl ester. Isophthalic acid, hexyl 2-isopropoxyphenyl ester. Isophthalic acid, heptyl 2-isopropoxyphenyl ester. Isophthalic acid, 2-isopropoxyphenyl undecyl ester. Isophthalic acid, 2-isopropoxyphenyl dodecyl ester. Isophthalic acid, 2-isopropoxyphenyl nonyl ester. Isophthalic acid, 2-isopropoxyphenyl octyl ester. Isophthalic acid, butyl 2-isopropoxyphenyl ester. Isophthalic acid, 2,6-dimethoxyphenyl isohexyl ester. Isophthalic acid, isobutyl 2-isopropoxyphenyl ester. Isophthalic acid, 2-isopropoxyphenyl propyl ester. Isophthalic acid, 2,4-dichlorophenyl isohexyl ester. Isophthalic acid, isohexyl 4-methoxyphenyl ester. Isophthalic acid, 4-chlorophenyl isohexyl ester. Isophthalic acid, 2-fluorophenyl isohexyl ester.

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

Sources

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