Chemical Properties of 4-Oxo-4-phenylbutyric acid, nonyl ester

InChI

InChI=1S/C19H28O3/c1-2-3-4-5-6-7-11-16-22-19(21)15-14-18(20)17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3

InChI Key

OKAOJWPEEOGYIJ-UHFFFAOYSA-N

Formula

C19H28O3

SMILES

CCCCCCCCCOC(=O)CCC(=O)c1ccccc1

Molecular Weight¹

304.42

• 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).
• 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 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	[368.55; 878.16]	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			-1.55200e+01
Coefficient B			1.64712e+00
Coefficient C			-9.27700e-04
Coefficient D			1.74260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.55	J/mol×K	273.00	Calculated Property
Cp,gas	458.80	J/mol×K	353.78	Calculated Property
Cp,gas	539.36	J/mol×K	434.56	Calculated Property
Cp,gas	610.78	J/mol×K	515.33	Calculated Property
Cp,gas	673.60	J/mol×K	596.11	Calculated Property
Cp,gas	728.39	J/mol×K	676.89	Calculated Property
Cp,gas	775.69	J/mol×K	757.67	Calculated Property
Cp,gas	816.05	J/mol×K	838.44	Calculated Property
Cp,gas	850.02	J/mol×K	919.22	Calculated Property
Cp,gas	878.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014241; 0.0001204]	Pa×s	[422.57; 678.35]	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			-1.31066e+01
Coefficient B			2.76881e+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.			422.57
Temperature range, max.			678.35
η	0.0014241	Pa×s	422.57	Calculated Property
η	0.0009423	Pa×s	450.99	Calculated Property
η	0.0006548	Pa×s	479.41	Calculated Property
η	0.0004740	Pa×s	507.83	Calculated Property
η	0.0003550	Pa×s	536.25	Calculated Property
η	0.0002738	Pa×s	564.67	Calculated Property
η	0.0002165	Pa×s	593.09	Calculated Property
η	0.0001748	Pa×s	621.51	Calculated Property
η	0.0001439	Pa×s	649.93	Calculated Property
η	0.0001204	Pa×s	678.35	Calculated Property

Similar Compounds

Find more compounds similar to 4-Oxo-4-phenylbutyric acid, nonyl ester.

Sources

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

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