Chemical Properties of Benzenepentanoic acid, .delta.-oxo-

InChI

InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)

InChI Key

SHKWSBAVRQZYLE-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

O=C(O)CCCC(=O)c1ccccc1

Molecular Weight¹

192.21

Other Names

• 4-Benzoylbutyric acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.12; 468.10]	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			-2.90570e+01
Coefficient B			9.92700e-01
Coefficient C			-6.59700e-04
Coefficient D			1.64160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.12	J/mol×K	273.00	Calculated Property
Cp,gas	246.84	J/mol×K	353.78	Calculated Property
Cp,gas	291.22	J/mol×K	434.56	Calculated Property
Cp,gas	329.79	J/mol×K	515.33	Calculated Property
Cp,gas	363.05	J/mol×K	596.11	Calculated Property
Cp,gas	391.54	J/mol×K	676.89	Calculated Property
Cp,gas	415.77	J/mol×K	757.67	Calculated Property
Cp,gas	436.26	J/mol×K	838.44	Calculated Property
Cp,gas	453.53	J/mol×K	919.22	Calculated Property
Cp,gas	468.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011677; 0.0002573]	Pa×s	[450.68; 630.00]	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			-1.20664e+01
Coefficient B			2.39475e+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.			450.68
Temperature range, max.			630.00
η	0.0011677	Pa×s	450.68	Calculated Property
η	0.0009324	Pa×s	470.60	Calculated Property
η	0.0007583	Pa×s	490.53	Calculated Property
η	0.0006267	Pa×s	510.45	Calculated Property
η	0.0005255	Pa×s	530.38	Calculated Property
η	0.0004462	Pa×s	550.30	Calculated Property
η	0.0003833	Pa×s	570.23	Calculated Property
η	0.0003326	Pa×s	590.15	Calculated Property
η	0.0002913	Pa×s	610.08	Calculated Property
η	0.0002573	Pa×s	630.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenepentanoic acid, .delta.-oxo-.

Sources

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

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