Chemical Properties of 3-(4-isopropoxy-phenyl)-2-methyl-propionic acid, methyl ester

InChI

InChI=1S/C14H20O3/c1-10(2)17-13-7-5-12(6-8-13)9-11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3

InChI Key

QYGNVPMXGZFFQB-UHFFFAOYSA-N

Formula

C14H20O3

SMILES

COC(=O)C(C)Cc1ccc(OC(C)C)cc1

Molecular Weight¹

236.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-174.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.81	kJ/mol	Joback Calculated Property
ΔfusH°	22.60	kJ/mol	Joback Calculated Property
ΔvapH°	60.49	kJ/mol	Joback Calculated Property
log10WS	-3.22		Crippen Calculated Property
logPoct/wat	2.825		Crippen Calculated Property
McVol	197.670	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
Inp	[1565.30; 1565.30]
Inp	1565.30		NIST
Inp	1565.30		NIST
Tboil	649.21	K	Joback Calculated Property
Tc	855.88	K	Joback Calculated Property
Tfus	350.87	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.93; 606.91]	J/mol×K	[649.21; 855.88]
Cp,gas	521.93	J/mol×K	649.21	Joback Calculated Property
Cp,gas	538.40	J/mol×K	683.65	Joback Calculated Property
Cp,gas	553.93	J/mol×K	718.10	Joback Calculated Property
Cp,gas	568.54	J/mol×K	752.54	Joback Calculated Property
Cp,gas	582.23	J/mol×K	786.99	Joback Calculated Property
Cp,gas	595.02	J/mol×K	821.43	Joback Calculated Property
Cp,gas	606.91	J/mol×K	855.88	Joback Calculated Property
η	[0.0001020; 0.0017648]	Pa×s	[350.87; 649.21]
η	0.0017648	Pa×s	350.87	Joback Calculated Property
η	0.0008171	Pa×s	400.59	Joback Calculated Property
η	0.0004484	Pa×s	450.32	Joback Calculated Property
η	0.0002773	Pa×s	500.04	Joback Calculated Property
η	0.0001870	Pa×s	549.76	Joback Calculated Property
η	0.0001347	Pa×s	599.49	Joback Calculated Property
η	0.0001020	Pa×s	649.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(4-isopropoxy-phenyl)-2-methyl-propionic acid, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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