Chemical Properties of Isophthalic acid, (2-chlorocyclohexyl)methyl isohexyl ester

Isophthalic acid, (2-chlorocyclohexyl)methyl isohexyl ester

InChI
InChI=1S/C21H29ClO4/c1-15(2)7-6-12-25-20(23)16-9-5-10-17(13-16)21(24)26-14-18-8-3-4-11-19(18)22/h5,9-10,13,15,18-19H,3-4,6-8,11-12,14H2,1-2H3
InChI Key
ANCPDJAIGGZLQF-UHFFFAOYSA-N
Formula
C21H29ClO4
SMILES
CC(C)CCCOC(=O)c1cccc(C(=O)OCC2CCCCC2Cl)c1
Molecular Weight1
380.91
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Physical Properties

Property Value Unit Source
ΔfusH° 46.12 kJ/mol Joback Calculated Property
log10WS -6.02 Relay (1.0) Calculated Property
logPoct/wat 5.234 Crippen Calculated Property
McVol 299.250 ml/mol McGowan Calculated Property
Inp [2927.00; 2927.00]   Show Hide
Inp 2927.00 NIST
Inp 2927.00 NIST
Tboil 692.47 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 [950.92; 1023.96] J/mol×K [880.05; 1100.12] Show Hide
Cp,gas 950.92 J/mol×K 880.05 Joback Calculated Property
Cp,gas 967.19 J/mol×K 916.73 Joback Calculated Property
Cp,gas 981.78 J/mol×K 953.41 Joback Calculated Property
Cp,gas 994.72 J/mol×K 990.08 Joback Calculated Property
Cp,gas 1006.04 J/mol×K 1026.76 Joback Calculated Property
Cp,gas 1015.77 J/mol×K 1063.44 Joback Calculated Property
Cp,gas 1023.96 J/mol×K 1100.12 Joback Calculated Property
η [0.0000385; 0.0008860] Pa×s [468.09; 880.05] Show Hide
η 0.0008860 Pa×s 468.09 Joback Calculated Property
η 0.0003762 Pa×s 536.75 Joback Calculated Property
η 0.0001939 Pa×s 605.41 Joback Calculated Property
η 0.0001144 Pa×s 674.07 Joback Calculated Property
η 0.0000745 Pa×s 742.73 Joback Calculated Property
η 0.0000521 Pa×s 811.39 Joback Calculated Property
η 0.0000385 Pa×s 880.05 Joback Calculated Property

Similar Compounds

Isophthalic acid, (2-chlorocyclohexyl)methyl pentyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl hexyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl heptyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl propyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl isobutyl ester. Isophthalic acid, di(2-chlorocyclohexyl)methyl ester. Isophthalic acid, cyclohexylmethyl isohexyl ester. Isophthalic acid, 8-chloroctyl isohexyl ester. Isophthalic acid, 10-chlorodecyl isohexyl ester. Isophthalic acid, cyclohexylmethyl pentyl ester. Isophthalic acid, cyclohexylmethyl dodecyl ester. Isophthalic acid, butyl cyclohexylmethyl ester. Isophthalic acid, cyclohexylmethyl octyl ester. Isophthalic acid, cyclohexylmethyl hexyl ester. Isophthalic acid, cyclohexylmethyl nonyl ester.

Find more compounds similar to Isophthalic acid, (2-chlorocyclohexyl)methyl isohexyl ester.

Sources

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