Chemical Properties of Dibenzyl sebacate

InChI

InChI=1S/C24H30O4/c25-23(27-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)28-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2

InChI Key

DVLXEVMGHXWBOZ-UHFFFAOYSA-N

Formula

C24H30O4

SMILES

O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1

Molecular Weight¹

382.50

Other Names

• Decanedioic acid, bis(phenylmethyl) ester
• Sebacic acid, dibenzyl ester

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[112.20; 121.00]	kJ/mol	[402.50; 459.00]
ΔvapH	121.00	kJ/mol	402.50	NIST
ΔvapH	112.20	kJ/mol	434.00	NIST
ΔvapH	114.30	kJ/mol	459.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.77; 1036.68]	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			-3.59200e+01
Coefficient B			2.01640e+00
Coefficient C			-1.15500e-03
Coefficient D			2.11200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	432.77	J/mol×K	273.00	Calculated Property
Cp,gas	542.23	J/mol×K	353.78	Calculated Property
Cp,gas	639.54	J/mol×K	434.56	Calculated Property
Cp,gas	725.37	J/mol×K	515.33	Calculated Property
Cp,gas	800.39	J/mol×K	596.11	Calculated Property
Cp,gas	865.26	J/mol×K	676.89	Calculated Property
Cp,gas	920.66	J/mol×K	757.67	Calculated Property
Cp,gas	967.25	J/mol×K	838.44	Calculated Property
Cp,gas	1005.70	J/mol×K	919.22	Calculated Property
Cp,gas	1036.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005481; 0.0000422]	Pa×s	[497.74; 794.48]	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			-1.43733e+01
Coefficient B			3.41656e+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.			497.74
Temperature range, max.			794.48
η	0.0005481	Pa×s	497.74	Calculated Property
η	0.0003578	Pa×s	530.71	Calculated Property
η	0.0002455	Pa×s	563.68	Calculated Property
η	0.0001756	Pa×s	596.65	Calculated Property
η	0.0001301	Pa×s	629.62	Calculated Property
η	0.0000993	Pa×s	662.60	Calculated Property
η	0.0000778	Pa×s	695.57	Calculated Property
η	0.0000623	Pa×s	728.54	Calculated Property
η	0.0000508	Pa×s	761.51	Calculated Property
η	0.0000422	Pa×s	794.48	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzyl sebacate.

Sources

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

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