Chemical Properties of Isophthalic acid, octyl 4-tert-butylcyclohexyl ester

Isophthalic acid, octyl 4-tert-butylcyclohexyl ester

InChI
InChI=1S/C26H40O4/c1-5-6-7-8-9-10-18-29-24(27)20-12-11-13-21(19-20)25(28)30-23-16-14-22(15-17-23)26(2,3)4/h11-13,19,22-23H,5-10,14-18H2,1-4H3
InChI Key
FEGDZDGBNXUQAY-UHFFFAOYSA-N
Formula
C26H40O4
SMILES
CCCCCCCCOC(=O)c1cccc(C(=O)OC2CCC(C(C)(C)C)CC2)c1
Molecular Weight1
416.59
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Physical Properties

Property Value Unit Source
ω 1.0032 Relay (1.0) Calculated Property
ΔfusH° 50.98 kJ/mol Joback Calculated Property
log10WS -7.15 Relay (1.0) Calculated Property
logPoct/wat 6.966 Crippen Calculated Property
McVol 357.460 ml/mol McGowan Calculated Property
Pc 978.40 kPa Joback Calculated Property
Inp [3131.00; 3131.00]   Show Hide
Inp 3131.00 NIST
Inp 3131.00 NIST
Tboil 692.34 K Relay (1.0) Calculated Property
Tc 919.50 K Relay (1.0) Calculated Property
Tfus 334.06 K Relay (1.0) Calculated Property
Vc 1.300 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 [1227.25; 1305.92] J/mol×K [954.23; 1174.34] Show Hide
Cp,gas 1227.25 J/mol×K 954.23 Joback Calculated Property
Cp,gas 1244.54 J/mol×K 990.91 Joback Calculated Property
Cp,gas 1260.06 J/mol×K 1027.60 Joback Calculated Property
Cp,gas 1273.89 J/mol×K 1064.28 Joback Calculated Property
Cp,gas 1286.10 J/mol×K 1100.97 Joback Calculated Property
Cp,gas 1296.75 J/mol×K 1137.65 Joback Calculated Property
Cp,gas 1305.92 J/mol×K 1174.34 Joback Calculated Property
η [0.0000180; 0.0004843] Pa×s [511.94; 954.23] Show Hide
η 0.0004843 Pa×s 511.94 Joback Calculated Property
η 0.0001980 Pa×s 585.65 Joback Calculated Property
η 0.0000989 Pa×s 659.37 Joback Calculated Property
η 0.0000568 Pa×s 733.08 Joback Calculated Property
η 0.0000361 Pa×s 806.80 Joback Calculated Property
η 0.0000247 Pa×s 880.51 Joback Calculated Property
η 0.0000180 Pa×s 954.23 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Isophthalic acid, octyl 4-tert-butylcyclohexyl ester.

Sources

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