Chemical Properties of 3-[3-(Benzoyloxy)propoxy]propyl benzoate

InChI

InChI=1S/C20H22O5/c21-19(17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-20(22)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2

InChI Key

BYQDGAVOOHIJQS-UHFFFAOYSA-N

Formula

C20H22O5

SMILES

O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

342.39

Other Names

• 3,3'-oxydipropyl dibenzoate

• 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	[363.32; 848.82]	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			-6.78400e+00
Coefficient B			1.57320e+00
Coefficient C			-8.26400e-04
Coefficient D			1.08800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.32	J/mol×K	273.00	Calculated Property
Cp,gas	451.17	J/mol×K	353.78	Calculated Property
Cp,gas	529.73	J/mol×K	434.56	Calculated Property
Cp,gas	599.36	J/mol×K	515.33	Calculated Property
Cp,gas	660.40	J/mol×K	596.11	Calculated Property
Cp,gas	713.20	J/mol×K	676.89	Calculated Property
Cp,gas	758.10	J/mol×K	757.67	Calculated Property
Cp,gas	795.44	J/mol×K	838.44	Calculated Property
Cp,gas	825.56	J/mol×K	919.22	Calculated Property
Cp,gas	848.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006018; 0.0000531]	Pa×s	[474.89; 747.32]	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			-1.40740e+01
Coefficient B			3.16201e+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.			474.89
Temperature range, max.			747.32
η	0.0006018	Pa×s	474.89	Calculated Property
η	0.0004038	Pa×s	505.16	Calculated Property
η	0.0002834	Pa×s	535.43	Calculated Property
η	0.0002066	Pa×s	565.70	Calculated Property
η	0.0001556	Pa×s	595.97	Calculated Property
η	0.0001204	Pa×s	626.24	Calculated Property
η	0.0000954	Pa×s	656.51	Calculated Property
η	0.0000771	Pa×s	686.78	Calculated Property
η	0.0000635	Pa×s	717.05	Calculated Property
η	0.0000531	Pa×s	747.32	Calculated Property

Similar Compounds

Find more compounds similar to 3-[3-(Benzoyloxy)propoxy]propyl benzoate.

Sources

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

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