Chemical Properties of 3-(3,4-Dimethoxyphenyl)propionic acid

InChI

InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)

InChI Key

LHHKQWQTBCTDQM-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

COc1ccc(CCC(=O)O)cc1OC

Molecular Weight¹

210.23

Other Names

• Benzenepropanoic acid, 3,4-dimethoxy-
• 3-(3,4-Dimethoxyphenyl)propanoic acid

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• P_c : Critical Pressure (kPa).
• 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.40; 481.32]	J/mol×K	[678.61; 875.09]
Cp,gas	422.40	J/mol×K	678.61	Joback Calculated Property
Cp,gas	433.78	J/mol×K	711.36	Joback Calculated Property
Cp,gas	444.55	J/mol×K	744.10	Joback Calculated Property
Cp,gas	454.68	J/mol×K	776.85	Joback Calculated Property
Cp,gas	464.20	J/mol×K	809.60	Joback Calculated Property
Cp,gas	473.08	J/mol×K	842.34	Joback Calculated Property
Cp,gas	481.32	J/mol×K	875.09	Joback Calculated Property
η	[0.0000411; 0.0009642]	Pa×s	[420.40; 678.61]
η	0.0009642	Pa×s	420.40	Joback Calculated Property
η	0.0004463	Pa×s	463.44	Joback Calculated Property
η	0.0002355	Pa×s	506.47	Joback Calculated Property
η	0.0001373	Pa×s	549.50	Joback Calculated Property
η	0.0000866	Pa×s	592.54	Joback Calculated Property
η	0.0000582	Pa×s	635.58	Joback Calculated Property
η	0.0000411	Pa×s	678.61	Joback Calculated Property
ΔfusH	32.38	kJ/mol	370.90	NIST
ΔsubH	140.30 ± 0.80	kJ/mol	359.00	NIST

Similar Compounds

Find more compounds similar to 3-(3,4-Dimethoxyphenyl)propionic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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