Chemical Properties of Isophthalic acid, isohexyl 2-methylcyclohexyl ester

Isophthalic acid, isohexyl 2-methylcyclohexyl ester

InChI
InChI=1S/C21H30O4/c1-15(2)8-7-13-24-20(22)17-10-6-11-18(14-17)21(23)25-19-12-5-4-9-16(19)3/h6,10-11,14-16,19H,4-5,7-9,12-13H2,1-3H3
InChI Key
BZIQKXGWONQDKW-UHFFFAOYSA-N
Formula
C21H30O4
SMILES
CC(C)CCCOC(=O)c1cccc(C(=O)OC2CCCCC2C)c1
Molecular Weight1
346.46
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Physical Properties

Property Value Unit Source
ΔfusH° 41.92 kJ/mol Joback Calculated Property
log10WS -5.65 Relay (1.0) Calculated Property
logPoct/wat 5.015 Crippen Calculated Property
McVol 287.010 ml/mol McGowan Calculated Property
Inp [2613.00; 2613.00]   Show Hide
Inp 2613.00 NIST
Inp 2613.00 NIST
Tboil 663.46 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [923.03; 1006.77] J/mol×K [842.62; 1058.90] Show Hide
Cp,gas 923.03 J/mol×K 842.62 Joback Calculated Property
Cp,gas 941.07 J/mol×K 878.67 Joback Calculated Property
Cp,gas 957.43 J/mol×K 914.71 Joback Calculated Property
Cp,gas 972.15 J/mol×K 950.76 Joback Calculated Property
Cp,gas 985.26 J/mol×K 986.80 Joback Calculated Property
Cp,gas 996.79 J/mol×K 1022.85 Joback Calculated Property
Cp,gas 1006.77 J/mol×K 1058.90 Joback Calculated Property
η [0.0000450; 0.0011556] Pa×s [438.17; 842.62] Show Hide
η 0.0011556 Pa×s 438.17 Joback Calculated Property
η 0.0004689 Pa×s 505.58 Joback Calculated Property
η 0.0002353 Pa×s 572.99 Joback Calculated Property
η 0.0001365 Pa×s 640.39 Joback Calculated Property
η 0.0000878 Pa×s 707.80 Joback Calculated Property
η 0.0000610 Pa×s 775.21 Joback Calculated Property
η 0.0000450 Pa×s 842.62 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-methylcyclohexyl undecyl ester. Isophthalic acid, hexyl 2-methylcyclohexyl ester. Isophthalic acid, 2-methylcyclohexyl pentyl ester. Isophthalic acid, butyl 2-methylcyclohexyl ester. Isophthalic acid, decyl 2-methylcyclohexyl ester. Isophthalic acid, 2-methylcyclohexyl nonyl ester. Isophthalic acid, dodecyl 2-methylcyclohexyl ester. Isophthalic acid, 2-methylcyclohexyl propyl ester. Isophthalic acid, 2-methylcyclohexyl octyl ester. Isophthalic acid, isobutyl 2-methylcyclohexyl ester. Isophthalic acid, ethyl 2-methylcyclohexyl ester. Isophthalic acid, di(2-methylcyclohexyl) ester. Isophthalic acid, heptadecyl 3-methylpentyl-2 ester. Isophthalic acid, 6-ethyloct-3-yl isobutyl ester. Isophthalic acid, 6-ethyloct-3-yl isohexyl ester.

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

Sources

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