Chemical Properties of Adipic acid, di-p-tolyl ester (CAS 5538-18-1)

InChI

InChI=1S/C20H22O4/c1-15-7-11-17(12-8-15)23-19(21)5-3-4-6-20(22)24-18-13-9-16(2)10-14-18/h7-14H,3-6H2,1-2H3

InChI Key

JHAPQVJQYVKFCS-UHFFFAOYSA-N

Formula

C20H22O4

SMILES

Cc1ccc(OC(=O)CCCCC(=O)Oc2ccc(C)cc2)cc1

Molecular Weight¹

326.39

CAS

5538-18-1

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.02; 824.23]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.68600e+00
Coefficient B			1.51744e+00
Coefficient C			-8.03320e-04
Coefficient D			1.13800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.02	J/mol×K	273.00	Calculated Property
Cp,gas	437.65	J/mol×K	353.78	Calculated Property
Cp,gas	513.37	J/mol×K	434.56	Calculated Property
Cp,gas	580.54	J/mol×K	515.33	Calculated Property
Cp,gas	639.52	J/mol×K	596.11	Calculated Property
Cp,gas	690.68	J/mol×K	676.89	Calculated Property
Cp,gas	734.37	J/mol×K	757.67	Calculated Property
Cp,gas	770.95	J/mol×K	838.44	Calculated Property
Cp,gas	800.79	J/mol×K	919.22	Calculated Property
Cp,gas	824.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006120; 0.0000691]	Pa×s	[477.70; 740.39]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.35479e+01
Coefficient B			2.93740e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			477.70
Temperature range, max.			740.39
η	0.0006120	Pa×s	477.70	Calculated Property
η	0.0004295	Pa×s	506.89	Calculated Property
η	0.0003133	Pa×s	536.08	Calculated Property
η	0.0002361	Pa×s	565.26	Calculated Property
η	0.0001829	Pa×s	594.45	Calculated Property
η	0.0001451	Pa×s	623.64	Calculated Property
η	0.0001176	Pa×s	652.83	Calculated Property
η	0.0000970	Pa×s	682.01	Calculated Property
η	0.0000813	Pa×s	711.20	Calculated Property
η	0.0000691	Pa×s	740.39	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, di-p-tolyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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