Chemical Properties of 4-(n-Butoxyphenyl)acetic acid (CAS 4547-57-3)

InChI

InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)

InChI Key

KLJMYYFCWBVKEE-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

CCCCOc1ccc(CC(=O)O)cc1

Molecular Weight¹

208.25

CAS

4547-57-3

Other Names

• 4-Butoxyphenylacetic acid
• p-(Butoxyphenyl)acetic acid
• Benzeneacetic acid, 4-butoxy-
• Acetic acid, (p-butoxyphenyl)-

• 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	[234.37; 546.13]	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			2.47400e+00
Coefficient B			9.93020e-01
Coefficient C			-5.54760e-04
Coefficient D			1.05400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.37	J/mol×K	273.00	Calculated Property
Cp,gas	289.02	J/mol×K	353.78	Calculated Property
Cp,gas	337.89	J/mol×K	434.56	Calculated Property
Cp,gas	381.31	J/mol×K	515.33	Calculated Property
Cp,gas	419.62	J/mol×K	596.11	Calculated Property
Cp,gas	453.15	J/mol×K	676.89	Calculated Property
Cp,gas	482.23	J/mol×K	757.67	Calculated Property
Cp,gas	507.20	J/mol×K	838.44	Calculated Property
Cp,gas	528.39	J/mol×K	919.22	Calculated Property
Cp,gas	546.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007866; 0.0001857]	Pa×s	[446.77; 619.46]	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			-1.23262e+01
Coefficient B			2.31355e+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.			446.77
Temperature range, max.			619.46
η	0.0007866	Pa×s	446.77	Calculated Property
η	0.0006355	Pa×s	465.96	Calculated Property
η	0.0005222	Pa×s	485.15	Calculated Property
η	0.0004356	Pa×s	504.33	Calculated Property
η	0.0003681	Pa×s	523.52	Calculated Property
η	0.0003149	Pa×s	542.71	Calculated Property
η	0.0002722	Pa×s	561.90	Calculated Property
η	0.0002376	Pa×s	581.09	Calculated Property
η	0.0002092	Pa×s	600.27	Calculated Property
η	0.0001857	Pa×s	619.46	Calculated Property

Similar Compounds

Find more compounds similar to 4-(n-Butoxyphenyl)acetic acid.

Sources

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

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