Chemical Properties of Adipic acid, 4-biphenyl propyl ester

InChI

InChI=1S/C21H24O4/c1-2-16-24-20(22)10-6-7-11-21(23)25-19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3

InChI Key

CAXABKDZUZZBRK-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

CCCOC(=O)CCCCC(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

340.41

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.68; 878.87]	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			-1.88940e+01
Coefficient B			1.67192e+00
Coefficient C			-9.24760e-04
Coefficient D			1.50600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.68	J/mol×K	273.00	Calculated Property
Cp,gas	463.52	J/mol×K	353.78	Calculated Property
Cp,gas	545.38	J/mol×K	434.56	Calculated Property
Cp,gas	617.73	J/mol×K	515.33	Calculated Property
Cp,gas	681.05	J/mol×K	596.11	Calculated Property
Cp,gas	735.81	J/mol×K	676.89	Calculated Property
Cp,gas	782.50	J/mol×K	757.67	Calculated Property
Cp,gas	821.59	J/mol×K	838.44	Calculated Property
Cp,gas	853.55	J/mol×K	919.22	Calculated Property
Cp,gas	878.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006566; 0.0000616]	Pa×s	[476.45; 751.18]	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			-1.37988e+01
Coefficient B			3.08282e+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.			476.45
Temperature range, max.			751.18
η	0.0006566	Pa×s	476.45	Calculated Property
η	0.0004447	Pa×s	506.98	Calculated Property
η	0.0003149	Pa×s	537.50	Calculated Property
η	0.0002313	Pa×s	568.03	Calculated Property
η	0.0001754	Pa×s	598.55	Calculated Property
η	0.0001366	Pa×s	629.08	Calculated Property
η	0.0001089	Pa×s	659.60	Calculated Property
η	0.0000886	Pa×s	690.13	Calculated Property
η	0.0000733	Pa×s	720.66	Calculated Property
η	0.0000616	Pa×s	751.18	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 4-biphenyl propyl ester.

Sources

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

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