Chemical Properties of Pimelic acid, di(4-chloro-3-methylphenyl) ester

Pimelic acid, di(4-chloro-3-methylphenyl) ester

InChI
InChI=1S/C21H22Cl2O4/c1-14-12-16(8-10-18(14)22)26-20(24)6-4-3-5-7-21(25)27-17-9-11-19(23)15(2)13-17/h8-13H,3-7H2,1-2H3
InChI Key
HGEXYUBYBWEILM-UHFFFAOYSA-N
Formula
C21H22Cl2O4
SMILES
Cc1cc(OC(=O)CCCCCC(=O)Oc2ccc(Cl)c(C)c2)ccc1Cl
Molecular Weight1
409.30
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Physical Properties

Property Value Unit Source
ΔfusH° 53.80 kJ/mol Joback Calculated Property
logPoct/wat 6.072 Crippen Calculated Property
McVol 298.590 ml/mol McGowan Calculated Property
Inp [2282.00; 2282.00]   Show Hide
Inp 2282.00 NIST
Inp 2282.00 NIST
Tboil 679.36 K Relay (1.0) Calculated Property
Tfus 369.54 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 [870.41; 917.30] J/mol×K [944.66; 1173.16] Show Hide
Cp,gas 870.41 J/mol×K 944.66 Joback Calculated Property
Cp,gas 881.66 J/mol×K 982.74 Joback Calculated Property
Cp,gas 891.49 J/mol×K 1020.83 Joback Calculated Property
Cp,gas 899.94 J/mol×K 1058.91 Joback Calculated Property
Cp,gas 907.03 J/mol×K 1096.99 Joback Calculated Property
Cp,gas 912.81 J/mol×K 1135.07 Joback Calculated Property
Cp,gas 917.30 J/mol×K 1173.16 Joback Calculated Property
η [0.0000287; 0.0002694] Pa×s [573.85; 944.66] Show Hide
η 0.0002694 Pa×s 573.85 Joback Calculated Property
η 0.0001548 Pa×s 635.65 Joback Calculated Property
η 0.0000981 Pa×s 697.45 Joback Calculated Property
η 0.0000670 Pa×s 759.26 Joback Calculated Property
η 0.0000484 Pa×s 821.06 Joback Calculated Property
η 0.0000366 Pa×s 882.86 Joback Calculated Property
η 0.0000287 Pa×s 944.66 Joback Calculated Property

Similar Compounds

Sebacic acid, di(4-chloro-3-methylphenyl) ester. Glutaric acid, di(4-chloro-3-methylphenyl) ester. Pimelic acid, 4-chloro-3-methylphenyl ethyl ester. Sebacic acid, 4-chloro-3-methylphenyl ethyl ester. Pimelic acid, 4-chloro-3-methylphenyl propyl ester. Sebacic acid, 4-chloro-3-methylphenyl propyl ester. Pimelic acid, butyl 4-chloro-3-methylphenyl ester. Sebacic acid, butyl 4-chloro-3-methylphenyl ester. 2-Ethylbutyric acid, 4-chloro-3-methylphenyl ester. Glutaric acid, 4-chloro-3-methylphenyl 4-biphenyl ester. Glutaric acid, 4-chloro-3-methylphenyl ethyl ester. Pimelic acid, 4-chloro-3-methylphenyl pentyl ester. Sebacic acid, 4-chloro-3-methylphenyl pentyl ester. Pimelic acid, 4-chloro-3-methylphenyl hexyl ester. Pimelic acid, 4-chloro-3-methylphenyl decyl ester.

Find more compounds similar to Pimelic acid, di(4-chloro-3-methylphenyl) ester.

Sources

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