Chemical Properties of 4-Isopropylphenoxyacetic acid

InChI

InChI=1S/C11H14O3/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)

InChI Key

FPVCSFOUVDLTDG-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CC(C)c1ccc(OCC(=O)O)cc1

Molecular Weight¹

194.23

• 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, 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	[212.84; 495.08]	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			1.70100e+00
Coefficient B			9.03940e-01
Coefficient C			-5.03560e-04
Coefficient D			9.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.84	J/mol×K	273.00	Calculated Property
Cp,gas	262.59	J/mol×K	353.78	Calculated Property
Cp,gas	307.05	J/mol×K	434.56	Calculated Property
Cp,gas	346.53	J/mol×K	515.33	Calculated Property
Cp,gas	381.31	J/mol×K	596.11	Calculated Property
Cp,gas	411.69	J/mol×K	676.89	Calculated Property
Cp,gas	437.96	J/mol×K	757.67	Calculated Property
Cp,gas	460.42	J/mol×K	838.44	Calculated Property
Cp,gas	479.36	J/mol×K	919.22	Calculated Property
Cp,gas	495.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009462; 0.0001803]	Pa×s	[420.50; 608.43]	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			-1.23310e+01
Coefficient B			2.25721e+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.			420.50
Temperature range, max.			608.43
η	0.0009462	Pa×s	420.50	Calculated Property
η	0.0007340	Pa×s	441.38	Calculated Property
η	0.0005826	Pa×s	462.26	Calculated Property
η	0.0004718	Pa×s	483.14	Calculated Property
η	0.0003887	Pa×s	504.03	Calculated Property
η	0.0003253	Pa×s	524.91	Calculated Property
η	0.0002760	Pa×s	545.79	Calculated Property
η	0.0002370	Pa×s	566.67	Calculated Property
η	0.0002057	Pa×s	587.55	Calculated Property
η	0.0001803	Pa×s	608.43	Calculated Property

Similar Compounds

Find more compounds similar to 4-Isopropylphenoxyacetic acid.

Sources

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

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