Chemical Properties of METHYL 4-(METHOXYCARBONYL)BENZYL TEREPHTHALATE

InChI

InChI=1S/C18H16O6/c1-22-16(19)13-5-3-12(4-6-13)11-24-18(21)15-9-7-14(8-10-15)17(20)23-2/h3-10H,11H2,1-2H3

InChI Key

ITTJRGPCQAAFGL-UHFFFAOYSA-N

Formula

C18H16O6

SMILES

COC(=O)c1ccc(COC(=O)c2ccc(C(=O)OC)cc2)cc1

Molecular Weight¹

328.32

Other Names

• Methyl [4-(methoxycarbonyl)phenyl]methyl 1,4-benzenedicarboxylate
• [4-(methoxycarbonyl)phenyl]methyl methyl terephthalate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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 Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.93; 729.16]	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			2.35410e+01
Coefficient B			1.27264e+00
Coefficient C			-5.99920e-04
Coefficient D			3.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.93	J/mol×K	273.00	Calculated Property
Cp,gas	400.14	J/mol×K	353.78	Calculated Property
Cp,gas	465.99	J/mol×K	434.56	Calculated Property
Cp,gas	524.56	J/mol×K	515.33	Calculated Property
Cp,gas	575.96	J/mol×K	596.11	Calculated Property
Cp,gas	620.31	J/mol×K	676.89	Calculated Property
Cp,gas	657.70	J/mol×K	757.67	Calculated Property
Cp,gas	688.23	J/mol×K	838.44	Calculated Property
Cp,gas	712.02	J/mol×K	919.22	Calculated Property
Cp,gas	729.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004996; 0.0000584]	Pa×s	[497.49; 754.10]	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			-1.39110e+01
Coefficient B			3.13880e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			497.49
Temperature range, max.			754.10
η	0.0004996	Pa×s	497.49	Calculated Property
η	0.0003549	Pa×s	526.00	Calculated Property
η	0.0002611	Pa×s	554.51	Calculated Property
η	0.0001980	Pa×s	583.03	Calculated Property
η	0.0001540	Pa×s	611.54	Calculated Property
η	0.0001225	Pa×s	640.05	Calculated Property
η	0.0000994	Pa×s	668.56	Calculated Property
η	0.0000820	Pa×s	697.08	Calculated Property
η	0.0000687	Pa×s	725.59	Calculated Property
η	0.0000584	Pa×s	754.10	Calculated Property

Similar Compounds

Find more compounds similar to METHYL 4-(METHOXYCARBONYL)BENZYL TEREPHTHALATE.

Sources

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

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