Chemical Properties of DIBENZYL MALONATE

InChI

InChI=1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2

InChI Key

RYFCSKVXWRJEOB-UHFFFAOYSA-N

Formula

C17H16O4

SMILES

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

Molecular Weight¹

284.31

Other Names

• Propanedioic acid, bis(phenylmethyl) ester

• 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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[284.28; 675.54]	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			-2.95570e+01
Coefficient B			1.35140e+00
Coefficient C			-7.74200e-04
Coefficient D			1.27900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.28	J/mol×K	273.00	Calculated Property
Cp,gas	357.30	J/mol×K	353.78	Calculated Property
Cp,gas	422.00	J/mol×K	434.56	Calculated Property
Cp,gas	478.77	J/mol×K	515.33	Calculated Property
Cp,gas	528.01	J/mol×K	596.11	Calculated Property
Cp,gas	570.14	J/mol×K	676.89	Calculated Property
Cp,gas	605.55	J/mol×K	757.67	Calculated Property
Cp,gas	634.65	J/mol×K	838.44	Calculated Property
Cp,gas	657.85	J/mol×K	919.22	Calculated Property
Cp,gas	675.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012388; 0.0000930]	Pa×s	[418.85; 690.45]	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			-1.32769e+01
Coefficient B			2.75744e+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.			418.85
Temperature range, max.			690.45
η	0.0012388	Pa×s	418.85	Calculated Property
η	0.0007959	Pa×s	449.03	Calculated Property
η	0.0005406	Pa×s	479.21	Calculated Property
η	0.0003845	Pa×s	509.38	Calculated Property
η	0.0002840	Pa×s	539.56	Calculated Property
η	0.0002167	Pa×s	569.74	Calculated Property
η	0.0001699	Pa×s	599.92	Calculated Property
η	0.0001363	Pa×s	630.10	Calculated Property
η	0.0001116	Pa×s	660.28	Calculated Property
η	0.0000930	Pa×s	690.45	Calculated Property

Similar Compounds

Find more compounds similar to DIBENZYL MALONATE.

Sources

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

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