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

Isophthalic acid, di(2-chlorocyclohexyl)methyl ester

InChI
InChI=1S/C22H28Cl2O4/c23-19-10-3-1-6-17(19)13-27-21(25)15-8-5-9-16(12-15)22(26)28-14-18-7-2-4-11-20(18)24/h5,8-9,12,17-20H,1-4,6-7,10-11,13-14H2
InChI Key
PZGVJALZLRDDFL-UHFFFAOYSA-N
Formula
C22H28Cl2O4
SMILES
O=C(OCC1CCCCC1Cl)c1cccc(C(=O)OCC2CCCCC2Cl)c1
Molecular Weight1
427.36
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 49.33 kJ/mol Joback Calculated Property
logPoct/wat 5.595 Crippen Calculated Property
McVol 314.720 ml/mol McGowan Calculated Property
Inp [3454.00; 3454.00]   Show Hide
Inp 3454.00 NIST
Inp 3454.00 NIST
Tboil 731.78 K Relay (1.0) Calculated Property
Tfus 370.58 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [1033.27; 1087.14] J/mol×K [955.68; 1197.66] Show Hide
Cp,gas 1033.27 J/mol×K 955.68 Joback Calculated Property
Cp,gas 1047.69 J/mol×K 996.01 Joback Calculated Property
Cp,gas 1059.87 J/mol×K 1036.34 Joback Calculated Property
Cp,gas 1069.86 J/mol×K 1076.67 Joback Calculated Property
Cp,gas 1077.70 J/mol×K 1117.00 Joback Calculated Property
Cp,gas 1083.44 J/mol×K 1157.33 Joback Calculated Property
Cp,gas 1087.14 J/mol×K 1197.66 Joback Calculated Property
η [0.0000420; 0.0006592] Pa×s [527.42; 955.68] Show Hide
η 0.0006592 Pa×s 527.42 Joback Calculated Property
η 0.0003170 Pa×s 598.80 Joback Calculated Property
η 0.0001782 Pa×s 670.17 Joback Calculated Property
η 0.0001119 Pa×s 741.55 Joback Calculated Property
η 0.0000762 Pa×s 812.93 Joback Calculated Property
η 0.0000553 Pa×s 884.30 Joback Calculated Property
η 0.0000420 Pa×s 955.68 Joback Calculated Property

Similar Compounds

Isophthalic acid, (2-chlorocyclohexyl)methyl isobutyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl propyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl isohexyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl heptyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl pentyl ester. Isophthalic acid, (2-chlorocyclohexyl)methyl hexyl ester. Isophthalic acid, cyclohexylmethyl propyl ester. Isophthalic acid, cyclohexylmethyl isobutyl ester. Isophthalic acid, dicyclohexylmethyl ester. Isophthalic acid, cyclohexylmethyl ethyl ester. Isophthalic acid, butyl cyclohexylmethyl ester. Isophthalic acid, cyclohexylmethyl isohexyl ester. Isophthalic acid, monochloride, cyclohexylmethyl ester. Isophthalic acid, 10-chlorodecyl isohexyl ester. Isophthalic acid, 8-chloroctyl isohexyl ester.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.