Chemical Properties of Dibenzyl maleate (CAS 622-06-0)

InChI

InChI=1S/C18H16O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11-

InChI Key

CPZVJYPXOWWFSW-QXMHVHEDSA-N

Formula

C18H16O4

SMILES

O=C(C=CC(=O)OCc1ccccc1)OCc1ccccc1

Molecular Weight¹

296.32

CAS

622-06-0

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[291.49; 696.55]	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			-4.46480e+01
Coefficient B			1.46640e+00
Coefficient C			-9.12400e-04
Coefficient D			1.87200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.49	J/mol×K	273.00	Calculated Property
Cp,gas	368.23	J/mol×K	353.78	Calculated Property
Cp,gas	435.65	J/mol×K	434.56	Calculated Property
Cp,gas	494.35	J/mol×K	515.33	Calculated Property
Cp,gas	544.92	J/mol×K	596.11	Calculated Property
Cp,gas	587.96	J/mol×K	676.89	Calculated Property
Cp,gas	624.04	J/mol×K	757.67	Calculated Property
Cp,gas	653.78	J/mol×K	838.44	Calculated Property
Cp,gas	677.75	J/mol×K	919.22	Calculated Property
Cp,gas	696.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010411; 0.0000712]	Pa×s	[425.04; 712.32]	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			-1.35206e+01
Coefficient B			2.82784e+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.			425.04
Temperature range, max.			712.32
η	0.0010411	Pa×s	425.04	Calculated Property
η	0.0006542	Pa×s	456.96	Calculated Property
η	0.0004367	Pa×s	488.88	Calculated Property
η	0.0003064	Pa×s	520.80	Calculated Property
η	0.0002239	Pa×s	552.72	Calculated Property
η	0.0001693	Pa×s	584.64	Calculated Property
η	0.0001318	Pa×s	616.56	Calculated Property
η	0.0001052	Pa×s	648.48	Calculated Property
η	0.0000857	Pa×s	680.40	Calculated Property
η	0.0000712	Pa×s	712.32	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzyl maleate.

Sources

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

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