Chemical Properties of Diethylene glycol monobenzoate (CAS 20587-61-5)

InChI

InChI=1S/C11H14O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h1-5,12H,6-9H2

InChI Key

DNUPYEDSAQDUSO-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

O=C(OCCOCCO)c1ccccc1

Molecular Weight¹

210.23

CAS

20587-61-5

Other Names

• 2-(2-hydroxyethoxy)ethyl 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	[225.82; 513.58]	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			1.51840e+01
Coefficient B			8.85900e-01
Coefficient C			-4.30600e-04
Coefficient D			4.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.82	J/mol×K	273.00	Calculated Property
Cp,gas	276.61	J/mol×K	353.78	Calculated Property
Cp,gas	322.38	J/mol×K	434.56	Calculated Property
Cp,gas	363.26	J/mol×K	515.33	Calculated Property
Cp,gas	399.40	J/mol×K	596.11	Calculated Property
Cp,gas	430.92	J/mol×K	676.89	Calculated Property
Cp,gas	457.96	J/mol×K	757.67	Calculated Property
Cp,gas	480.66	J/mol×K	838.44	Calculated Property
Cp,gas	499.16	J/mol×K	919.22	Calculated Property
Cp,gas	513.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030951; 0.0000719]	Pa×s	[365.53; 590.39]	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			-1.56568e+01
Coefficient B			3.61102e+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.			365.53
Temperature range, max.			590.39
η	0.0030951	Pa×s	365.53	Calculated Property
η	0.0016451	Pa×s	390.51	Calculated Property
η	0.0009434	Pa×s	415.50	Calculated Property
η	0.0005763	Pa×s	440.48	Calculated Property
η	0.0003711	Pa×s	465.47	Calculated Property
η	0.0002500	Pa×s	490.45	Calculated Property
η	0.0001749	Pa×s	515.43	Calculated Property
η	0.0001265	Pa×s	540.42	Calculated Property
η	0.0000942	Pa×s	565.40	Calculated Property
η	0.0000719	Pa×s	590.39	Calculated Property

Similar Compounds

Find more compounds similar to Diethylene glycol monobenzoate.

Sources

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

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