Chemical Properties of Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester

Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester

InChI
InChI=1S/C19H26O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-7,12-14,17H,4,8-11H2,1-3H3
InChI Key
BAJQPUFFJKFPLI-UHFFFAOYSA-N
Formula
C19H26O4
SMILES
CCCOC(=O)c1cccc(C(=O)OC2CCC(C)C(C)C2)c1
Molecular Weight1
318.41
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Physical Properties

Property Value Unit Source
ΔfusH° 41.33 kJ/mol Joback Calculated Property
log10WS -5.20 Relay (1.0) Calculated Property
logPoct/wat 4.235 Crippen Calculated Property
McVol 258.830 ml/mol McGowan Calculated Property
Pc 1505.81 kPa Joback Calculated Property
Inp [2466.00; 2466.00]   Show Hide
Inp 2466.00 NIST
Inp 2466.00 NIST
Tboil 641.11 K Relay (1.0) Calculated Property
Tfus 291.30 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [807.88; 895.28] J/mol×K [792.63; 1009.65] Show Hide
Cp,gas 807.88 J/mol×K 792.63 Joback Calculated Property
Cp,gas 826.45 J/mol×K 828.80 Joback Calculated Property
Cp,gas 843.40 J/mol×K 864.97 Joback Calculated Property
Cp,gas 858.74 J/mol×K 901.14 Joback Calculated Property
Cp,gas 872.49 J/mol×K 937.31 Joback Calculated Property
Cp,gas 884.67 J/mol×K 973.48 Joback Calculated Property
Cp,gas 895.28 J/mol×K 1009.65 Joback Calculated Property
η [0.0000820; 0.0012174] Pa×s [426.39; 792.63] Show Hide
η 0.0012174 Pa×s 426.39 Joback Calculated Property
η 0.0005859 Pa×s 487.43 Joback Calculated Property
η 0.0003319 Pa×s 548.47 Joback Calculated Property
η 0.0002106 Pa×s 609.51 Joback Calculated Property
η 0.0001452 Pa×s 670.55 Joback Calculated Property
η 0.0001065 Pa×s 731.59 Joback Calculated Property
η 0.0000820 Pa×s 792.63 Joback Calculated Property

Similar Compounds

Isophthalic acid, butyl 3,4-dimethylcyclohexyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl pentyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl hexyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl octyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl isobutyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl ethyl ester. Isophthalic acid, 3,5-dimethylcyclohexyl propyl ester. Isophthalic acid, butyl 3,5-dimethylcyclohexyl ester. Isophthalic acid, 3,5-dimethylcyclohexyl isobutyl ester. Isophthalic acid, di(3,4-dimethylcyclohexyl) ester. Isophthalic acid, 3,5-dimethylcyclohexyl ethyl ester. Isophthalic acid, 6-ethyloct-3-yl isohexyl ester. Isophthalic acid, 6-ethyloct-3-yl propyl ester. Isophthalic acid, 4-tert-butylcyclohexyl undecyl ester. Isophthalic acid, pentyl 4-tert-butylcyclohexyl ester.

Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl propyl ester.

Sources

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