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° 42.95 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 [963.64; 1034.38] J/mol×K [915.99; 1140.34] Show Hide
Cp,gas 963.64 J/mol×K 915.99 Joback Calculated Property
Cp,gas 979.39 J/mol×K 953.38 Joback Calculated Property
Cp,gas 993.52 J/mol×K 990.77 Joback Calculated Property
Cp,gas 1006.05 J/mol×K 1028.17 Joback Calculated Property
Cp,gas 1017.01 J/mol×K 1065.56 Joback Calculated Property
Cp,gas 1026.44 J/mol×K 1102.95 Joback Calculated Property
Cp,gas 1034.38 J/mol×K 1140.34 Joback Calculated Property
η [0.0000506; 0.0006069] Pa×s [527.75; 915.99] Show Hide
η 0.0006069 Pa×s 527.75 Joback Calculated Property
η 0.0003200 Pa×s 592.46 Joback Calculated Property
η 0.0001914 Pa×s 657.16 Joback Calculated Property
η 0.0001256 Pa×s 721.87 Joback Calculated Property
η 0.0000883 Pa×s 786.58 Joback Calculated Property
η 0.0000655 Pa×s 851.28 Joback Calculated Property
η 0.0000506 Pa×s 915.99 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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