Chemical Properties of Benzenebutanoic acid, 4-hydroxy-, methyl ester

InChI

InChI=1S/C11H14O3/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3

InChI Key

UZHISWLCHOMTIO-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

COC(=O)CCCc1ccc(O)cc1

Molecular Weight¹

194.23

Other Names

• Butyric acid, 4-(p-hydroxyphenyl)-, methyl ester
• 4-(p-Hydroxyphenyl)butyric acid methyl ester
• Methyl 4-(4-hydroxyphenyl)butanoate
• 4-(4-Hydroxyphenyl)butanoic acid methyl ester

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[214.80; 498.83]	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			-2.45270e+01
Coefficient B			1.06972e+00
Coefficient C			-7.67560e-04
Coefficient D			2.21200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.80	J/mol×K	273.00	Calculated Property
Cp,gas	267.64	J/mol×K	353.78	Calculated Property
Cp,gas	313.53	J/mol×K	434.56	Calculated Property
Cp,gas	353.17	J/mol×K	515.33	Calculated Property
Cp,gas	387.25	J/mol×K	596.11	Calculated Property
Cp,gas	416.48	J/mol×K	676.89	Calculated Property
Cp,gas	441.55	J/mol×K	757.67	Calculated Property
Cp,gas	463.17	J/mol×K	838.44	Calculated Property
Cp,gas	482.03	J/mol×K	919.22	Calculated Property
Cp,gas	498.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012938; 0.0000379]	Pa×s	[394.20; 583.92]	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			-1.75130e+01
Coefficient B			4.28212e+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.			394.20
Temperature range, max.			583.92
η	0.0012938	Pa×s	394.20	Calculated Property
η	0.0007454	Pa×s	415.28	Calculated Property
η	0.0004530	Pa×s	436.36	Calculated Property
η	0.0002882	Pa×s	457.44	Calculated Property
η	0.0001908	Pa×s	478.52	Calculated Property
η	0.0001308	Pa×s	499.60	Calculated Property
η	0.0000924	Pa×s	520.68	Calculated Property
η	0.0000671	Pa×s	541.76	Calculated Property
η	0.0000499	Pa×s	562.84	Calculated Property
η	0.0000379	Pa×s	583.92	Calculated Property

Similar Compounds

Find more compounds similar to Benzenebutanoic acid, 4-hydroxy-, methyl ester.

Sources

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

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