Chemical Properties of Terephthalic acid, 4-chloro-2-methylbenzyl heptyl ester

InChI

InChI=1S/C23H27ClO4/c1-3-4-5-6-7-14-27-22(25)18-8-10-19(11-9-18)23(26)28-16-20-12-13-21(24)15-17(20)2/h8-13,15H,3-7,14,16H2,1-2H3

InChI Key

JIHGISJHPCNBCU-UHFFFAOYSA-N

Formula

C23H27ClO4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2C)cc1

Molecular Weight¹

402.91

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[977.51; 1033.93]	J/mol×K	[983.95; 1212.54]
Cp,gas	977.51	J/mol×K	983.95	Joback Calculated Property
Cp,gas	990.27	J/mol×K	1022.05	Joback Calculated Property
Cp,gas	1001.64	J/mol×K	1060.15	Joback Calculated Property
Cp,gas	1011.65	J/mol×K	1098.25	Joback Calculated Property
Cp,gas	1020.34	J/mol×K	1136.34	Joback Calculated Property
Cp,gas	1027.76	J/mol×K	1174.44	Joback Calculated Property
Cp,gas	1033.93	J/mol×K	1212.54	Joback Calculated Property
η	[0.0000329; 0.0002483]	Pa×s	[613.61; 983.95]
η	0.0002483	Pa×s	613.61	Joback Calculated Property
η	0.0001519	Pa×s	675.33	Joback Calculated Property
η	0.0001009	Pa×s	737.06	Joback Calculated Property
η	0.0000714	Pa×s	798.78	Joback Calculated Property
η	0.0000531	Pa×s	860.50	Joback Calculated Property
η	0.0000411	Pa×s	922.23	Joback Calculated Property
η	0.0000329	Pa×s	983.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 4-chloro-2-methylbenzyl heptyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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