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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.73; 622.83]	J/mol×K	[700.66; 898.93]
Cp,gas	550.73	J/mol×K	700.66	Joback Calculated Property
Cp,gas	564.92	J/mol×K	733.70	Joback Calculated Property
Cp,gas	578.20	J/mol×K	766.75	Joback Calculated Property
Cp,gas	590.61	J/mol×K	799.79	Joback Calculated Property
Cp,gas	602.17	J/mol×K	832.84	Joback Calculated Property
Cp,gas	612.90	J/mol×K	865.88	Joback Calculated Property
Cp,gas	622.83	J/mol×K	898.93	Joback Calculated Property
η	[0.0000252; 0.0071904]	Pa×s	[344.63; 700.66]
η	0.0071904	Pa×s	344.63	Joback Calculated Property
η	0.0014032	Pa×s	403.97	Joback Calculated Property
η	0.0004162	Pa×s	463.31	Joback Calculated Property
η	0.0001627	Pa×s	522.64	Joback Calculated Property
η	0.0000770	Pa×s	581.98	Joback Calculated Property
η	0.0000419	Pa×s	641.32	Joback Calculated Property
η	0.0000252	Pa×s	700.66	Joback 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

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.
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