Chemical Properties of Benzophenone-4,4'-dicarboxylic acid dimethyl ester (CAS 1233-73-4)

InChI

InChI=1S/C17H14O5/c1-21-16(19)13-7-3-11(4-8-13)15(18)12-5-9-14(10-6-12)17(20)22-2/h3-10H,1-2H3

InChI Key

LASYICLJGDSRSM-UHFFFAOYSA-N

Formula

C17H14O5

SMILES

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

Molecular Weight¹

298.29

CAS

1233-73-4

Other Names

• 4,4'-Bis-methoxycarbonyl-benzophenone
• Benzoic acid, 4,4'-carbonylbis-, dimethyl ester

• 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	[290.30; 658.48]	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			6.40000e+00
Coefficient B			1.20444e+00
Coefficient C			-6.21420e-04
Coefficient D			6.90600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.30	J/mol×K	273.00	Calculated Property
Cp,gas	357.79	J/mol×K	353.78	Calculated Property
Cp,gas	418.12	J/mol×K	434.56	Calculated Property
Cp,gas	471.51	J/mol×K	515.33	Calculated Property
Cp,gas	518.19	J/mol×K	596.11	Calculated Property
Cp,gas	558.37	J/mol×K	676.89	Calculated Property
Cp,gas	592.27	J/mol×K	757.67	Calculated Property
Cp,gas	620.11	J/mol×K	838.44	Calculated Property
Cp,gas	642.11	J/mol×K	919.22	Calculated Property
Cp,gas	658.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006641; 0.0000941]	Pa×s	[493.82; 739.87]	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			-1.31919e+01
Coefficient B			2.90111e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			493.82
Temperature range, max.			739.87
η	0.0006641	Pa×s	493.82	Calculated Property
η	0.0004880	Pa×s	521.16	Calculated Property
η	0.0003697	Pa×s	548.50	Calculated Property
η	0.0002876	Pa×s	575.84	Calculated Property
η	0.0002289	Pa×s	603.18	Calculated Property
η	0.0001858	Pa×s	630.52	Calculated Property
η	0.0001535	Pa×s	657.86	Calculated Property
η	0.0001287	Pa×s	685.20	Calculated Property
η	0.0001094	Pa×s	712.54	Calculated Property
η	0.0000941	Pa×s	739.87	Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone-4,4'-dicarboxylic acid dimethyl ester.

Sources

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

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