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

InChI

InChI=1S/C15H22O3/c1-10(2)14(17-4)13-8-6-12(7-9-13)11(3)15(16)18-5/h6-11,14H,1-5H3

InChI Key

WNKBIUUWCXJTCQ-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

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

Molecular Weight¹

250.34

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.25	kJ/mol	Joback Calculated Property
ΔvapH°	78.65	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	3.307		Crippen Calculated Property
McVol	211.760	ml/mol	McGowan Calculated Property
Inp	[1610.00; 1610.00]
Inp	1610.00		NIST
Inp	1610.00		NIST
Tfus	316.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[569.35; 659.04]	J/mol×K	[653.78; 859.25]
Cp,gas	569.35	J/mol×K	653.78	Joback Calculated Property
Cp,gas	586.89	J/mol×K	688.02	Joback Calculated Property
Cp,gas	603.37	J/mol×K	722.27	Joback Calculated Property
Cp,gas	618.81	J/mol×K	756.51	Joback Calculated Property
Cp,gas	633.23	J/mol×K	790.76	Joback Calculated Property
Cp,gas	646.63	J/mol×K	825.00	Joback Calculated Property
Cp,gas	659.04	J/mol×K	859.25	Joback Calculated Property
η	[0.0000760; 0.0033281]	Pa×s	[317.31; 653.78]
η	0.0033281	Pa×s	317.31	Joback Calculated Property
η	0.0011046	Pa×s	373.39	Joback Calculated Property
η	0.0004890	Pa×s	429.47	Joback Calculated Property
η	0.0002613	Pa×s	485.54	Joback Calculated Property
η	0.0001590	Pa×s	541.62	Joback Calculated Property
η	0.0001062	Pa×s	597.70	Joback Calculated Property
η	0.0000760	Pa×s	653.78	Joback Calculated Property

Similar Compounds

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

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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