Chemical Properties of 4-(p-Chlorophenoxy)butyric acid (CAS 3547-07-7)

InChI

InChI=1S/C10H11ClO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)

InChI Key

SIYAHZSHQIPQLY-UHFFFAOYSA-N

Formula

C10H11ClO3

SMILES

O=C(O)CCCOc1ccc(Cl)cc1

Molecular Weight¹

214.65

CAS

3547-07-7

Other Names

• «gamma»-(4-Chlorophenoxy)butyric acid
• Butanoic acid, 4-(4-chlorophenoxy)-
• Butyric acid, 4-(p-chlorophenoxy)-
• 4-(4-Chlorophenoxy)butyric acid
• 4-(4-CPB)
• 4-CPB
• 4-(4-Chlorophenoxy)butanoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[205.34; 451.22]	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			1.71830e+01
Coefficient B			8.09800e-01
Coefficient C			-4.66360e-04
Coefficient D			9.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.34	J/mol×K	273.00	Calculated Property
Cp,gas	249.31	J/mol×K	353.78	Calculated Property
Cp,gas	288.45	J/mol×K	434.56	Calculated Property
Cp,gas	323.05	J/mol×K	515.33	Calculated Property
Cp,gas	353.39	J/mol×K	596.11	Calculated Property
Cp,gas	379.75	J/mol×K	676.89	Calculated Property
Cp,gas	402.43	J/mol×K	757.67	Calculated Property
Cp,gas	421.71	J/mol×K	838.44	Calculated Property
Cp,gas	437.88	J/mol×K	919.22	Calculated Property
Cp,gas	451.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007966; 0.0002049]	Pa×s	[454.15; 620.86]	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			-1.21920e+01
Coefficient B			2.29655e+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.			454.15
Temperature range, max.			620.86
η	0.0007966	Pa×s	454.15	Calculated Property
η	0.0006534	Pa×s	472.67	Calculated Property
η	0.0005440	Pa×s	491.20	Calculated Property
η	0.0004590	Pa×s	509.72	Calculated Property
η	0.0003919	Pa×s	528.24	Calculated Property
η	0.0003382	Pa×s	546.77	Calculated Property
η	0.0002947	Pa×s	565.29	Calculated Property
η	0.0002591	Pa×s	583.81	Calculated Property
η	0.0002296	Pa×s	602.34	Calculated Property
η	0.0002049	Pa×s	620.86	Calculated Property

Similar Compounds

Find more compounds similar to 4-(p-Chlorophenoxy)butyric acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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