Chemical Properties of 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid, monomethyl

InChI

InChI=1S/C14H20O3/c1-9(2)13(15)12-7-5-11(6-8-12)10(3)14(16)17-4/h5-10,13,15H,1-4H3

InChI Key

JBMWZTVMWRQDEK-UHFFFAOYSA-N

Formula

C14H20O3

SMILES

COC(=O)C(C)c1ccc(C(O)C(C)C)cc1

Molecular Weight¹

236.31

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[275.66; 648.43]	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			-3.79000e+00
Coefficient B			1.19238e+00
Coefficient C			-6.47360e-04
Coefficient D			1.07200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.66	J/mol×K	273.00	Calculated Property
Cp,gas	341.77	J/mol×K	353.78	Calculated Property
Cp,gas	400.92	J/mol×K	434.56	Calculated Property
Cp,gas	453.44	J/mol×K	515.33	Calculated Property
Cp,gas	499.67	J/mol×K	596.11	Calculated Property
Cp,gas	539.96	J/mol×K	676.89	Calculated Property
Cp,gas	574.64	J/mol×K	757.67	Calculated Property
Cp,gas	604.05	J/mol×K	838.44	Calculated Property
Cp,gas	628.54	J/mol×K	919.22	Calculated Property
Cp,gas	648.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0071904; 0.0000469]	Pa×s	[344.63; 629.25]	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			-1.60589e+01
Coefficient B			3.83361e+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.			344.63
Temperature range, max.			629.25
η	0.0071904	Pa×s	344.63	Calculated Property
η	0.0028230	Pa×s	376.25	Calculated Property
η	0.0012812	Pa×s	407.88	Calculated Property
η	0.0006515	Pa×s	439.50	Calculated Property
η	0.0003628	Pa×s	471.13	Calculated Property
η	0.0002174	Pa×s	502.75	Calculated Property
η	0.0001385	Pa×s	534.38	Calculated Property
η	0.0000927	Pa×s	566.00	Calculated Property
η	0.0000648	Pa×s	597.62	Calculated Property
η	0.0000469	Pa×s	629.25	Calculated Property

Similar Compounds

Find more compounds similar to 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid, monomethyl.

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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