Chemical Properties of 4-Isopropoxy-3-chlorophenylacetic acid

InChI

InChI=1S/C11H13ClO3/c1-7(2)15-10-4-3-8(5-9(10)12)6-11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)

InChI Key

IDIYIZMETAUIPJ-UHFFFAOYSA-N

Formula

C11H13ClO3

SMILES

CC(C)Oc1ccc(CC(=O)O)cc1Cl

Molecular Weight¹

228.67

• 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).
• I_np : Non-polar retention indices.
• 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	[228.79; 500.31]	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			2.88910e+01
Coefficient B			8.51240e-01
Coefficient C			-4.56920e-04
Coefficient D			7.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.79	J/mol×K	273.00	Calculated Property
Cp,gas	276.27	J/mol×K	353.78	Calculated Property
Cp,gas	318.84	J/mol×K	434.56	Calculated Property
Cp,gas	356.77	J/mol×K	515.33	Calculated Property
Cp,gas	390.29	J/mol×K	596.11	Calculated Property
Cp,gas	419.65	J/mol×K	676.89	Calculated Property
Cp,gas	445.08	J/mol×K	757.67	Calculated Property
Cp,gas	466.84	J/mol×K	838.44	Calculated Property
Cp,gas	485.17	J/mol×K	919.22	Calculated Property
Cp,gas	500.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007227; 0.0001737]	Pa×s	[462.94; 640.90]	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			-1.23677e+01
Coefficient B			2.37727e+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.			462.94
Temperature range, max.			640.90
η	0.0007227	Pa×s	462.94	Calculated Property
η	0.0005856	Pa×s	482.71	Calculated Property
η	0.0004824	Pa×s	502.49	Calculated Property
η	0.0004033	Pa×s	522.26	Calculated Property
η	0.0003416	Pa×s	542.03	Calculated Property
η	0.0002927	Pa×s	561.81	Calculated Property
η	0.0002535	Pa×s	581.58	Calculated Property
η	0.0002216	Pa×s	601.35	Calculated Property
η	0.0001954	Pa×s	621.12	Calculated Property
η	0.0001737	Pa×s	640.90	Calculated Property

Similar Compounds

Find more compounds similar to 4-Isopropoxy-3-chlorophenylacetic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.