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

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

InChI
InChI=1S/C21H30O4/c1-3-4-5-8-14-24-20(22)18-12-6-7-13-19(18)21(23)25-17-11-9-10-16(2)15-17/h9-11,15,18-19H,3-8,12-14H2,1-2H3
InChI Key
BXXSMTVCWQTJFG-UHFFFAOYSA-N
Formula
C21H30O4
SMILES
CCCCCCOC(=O)C1CCCCC1C(=O)Oc1cccc(C)c1
Molecular Weight1
346.46
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Physical Properties

Property Value Unit Source
ΔfusH° 42.28 kJ/mol Joback Calculated Property
IE 8.41 eV Relay (1.0) Calculated Property
logPoct/wat 4.830 Crippen Calculated Property
McVol 287.010 ml/mol McGowan Calculated Property
Inp [2519.00; 2519.00]   Show Hide
Inp 2519.00 NIST
Inp 2519.00 NIST
Tboil 655.05 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 [936.51; 1017.06] J/mol×K [879.00; 1096.93] Show Hide
Cp,gas 936.51 J/mol×K 879.00 Joback Calculated Property
Cp,gas 953.76 J/mol×K 915.32 Joback Calculated Property
Cp,gas 969.45 J/mol×K 951.64 Joback Calculated Property
Cp,gas 983.59 J/mol×K 987.96 Joback Calculated Property
Cp,gas 996.23 J/mol×K 1024.28 Joback Calculated Property
Cp,gas 1007.37 J/mol×K 1060.60 Joback Calculated Property
Cp,gas 1017.06 J/mol×K 1096.93 Joback Calculated Property
η [0.0000642; 0.0006680] Pa×s [512.83; 879.00] Show Hide
η 0.0006680 Pa×s 512.83 Joback Calculated Property
η 0.0003674 Pa×s 573.86 Joback Calculated Property
η 0.0002267 Pa×s 634.89 Joback Calculated Property
η 0.0001522 Pa×s 695.91 Joback Calculated Property
η 0.0001090 Pa×s 756.94 Joback Calculated Property
η 0.0000820 Pa×s 817.97 Joback Calculated Property
η 0.0000642 Pa×s 879.00 Joback Calculated Property

Similar Compounds

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

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

Sources

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