Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylphenyl ester

1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylphenyl ester

InChI
InChI=1S/C21H30O4/c1-15(2)8-7-13-24-20(22)18-11-4-5-12-19(18)21(23)25-17-10-6-9-16(3)14-17/h6,9-10,14-15,18-19H,4-5,7-8,11-13H2,1-3H3
InChI Key
AAHUFYKJGJCZQH-UHFFFAOYSA-N
Formula
C21H30O4
SMILES
Cc1cccc(OC(=O)C2CCCCC2C(=O)OCCCC(C)C)c1
Molecular Weight1
346.46
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Physical Properties

Property Value Unit Source
ΔfusH° 38.75 kJ/mol Joback Calculated Property
IE 8.46 eV Relay (1.0) Calculated Property
logPoct/wat 4.686 Crippen Calculated Property
McVol 287.010 ml/mol McGowan Calculated Property
Inp [2472.00; 2472.00]   Show Hide
Inp 2472.00 NIST
Inp 2472.00 NIST
Tboil 654.00 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, Log10 of Water solubility in mol/l 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 [937.00; 1017.85] J/mol×K [878.56; 1098.94] Show Hide
Cp,gas 937.00 J/mol×K 878.56 Joback Calculated Property
Cp,gas 954.42 J/mol×K 915.29 Joback Calculated Property
Cp,gas 970.22 J/mol×K 952.02 Joback Calculated Property
Cp,gas 984.44 J/mol×K 988.75 Joback Calculated Property
Cp,gas 997.10 J/mol×K 1025.48 Joback Calculated Property
Cp,gas 1008.23 J/mol×K 1062.21 Joback Calculated Property
Cp,gas 1017.85 J/mol×K 1098.94 Joback Calculated Property
η [0.0000587; 0.0007467] Pa×s [497.83; 878.56] Show Hide
η 0.0007467 Pa×s 497.83 Joback Calculated Property
η 0.0003846 Pa×s 561.28 Joback Calculated Property
η 0.0002267 Pa×s 624.74 Joback Calculated Property
η 0.0001473 Pa×s 688.19 Joback Calculated Property
η 0.0001030 Pa×s 751.65 Joback Calculated Property
η 0.0000761 Pa×s 815.11 Joback Calculated Property
η 0.0000587 Pa×s 878.56 Joback Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, decyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, hexyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, heptyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, isobutyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl hexyl ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl pentyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylphenyl ester.

Sources

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