Chemical Properties of 1-Propanol, 2-[2-(benzoyloxy)propoxy]-, benzoate (CAS 20109-39-1)

InChI

InChI=1S/C20H22O5/c1-15(13-24-19(21)17-9-5-3-6-10-17)23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3

InChI Key

LXODQLXKQIJVNK-UHFFFAOYSA-N

Formula

C20H22O5

SMILES

CC(COC(=O)c1ccccc1)OCC(C)OC(=O)c1ccccc1

Molecular Weight¹

342.39

CAS

20109-39-1

Other Names

• Dipropyleneglycol dibenzoate
• 2-[2-(benzoyloxy)propoxy]propyl benzoate

• 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	[362.69; 849.89]	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			-1.01480e+01
Coefficient B			1.58504e+00
Coefficient C			-8.32800e-04
Coefficient D			1.07800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.69	J/mol×K	273.00	Calculated Property
Cp,gas	451.14	J/mol×K	353.78	Calculated Property
Cp,gas	530.22	J/mol×K	434.56	Calculated Property
Cp,gas	600.26	J/mol×K	515.33	Calculated Property
Cp,gas	661.61	J/mol×K	596.11	Calculated Property
Cp,gas	714.61	J/mol×K	676.89	Calculated Property
Cp,gas	759.59	J/mol×K	757.67	Calculated Property
Cp,gas	796.91	J/mol×K	838.44	Calculated Property
Cp,gas	826.90	J/mol×K	919.22	Calculated Property
Cp,gas	849.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008548; 0.0000441]	Pa×s	[444.89; 750.75]	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			-1.43420e+01
Coefficient B			3.23765e+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.			444.89
Temperature range, max.			750.75
η	0.0008548	Pa×s	444.89	Calculated Property
η	0.0005100	Pa×s	478.87	Calculated Property
η	0.0003258	Pa×s	512.86	Calculated Property
η	0.0002201	Pa×s	546.84	Calculated Property
η	0.0001557	Pa×s	580.83	Calculated Property
η	0.0001144	Pa×s	614.81	Calculated Property
η	0.0000868	Pa×s	648.80	Calculated Property
η	0.0000677	Pa×s	682.78	Calculated Property
η	0.0000541	Pa×s	716.77	Calculated Property
η	0.0000441	Pa×s	750.75	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 2-[2-(benzoyloxy)propoxy]-, benzoate.

Sources

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

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