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

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

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.11; 510.00]	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			4.31820e+01
Coefficient B			7.75340e-01
Coefficient C			-3.22320e-04
Coefficient D			1.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.11	J/mol×K	273.00	Calculated Property
Cp,gas	277.75	J/mol×K	353.78	Calculated Property
Cp,gas	320.38	J/mol×K	434.56	Calculated Property
Cp,gas	359.03	J/mol×K	515.33	Calculated Property
Cp,gas	393.76	J/mol×K	596.11	Calculated Property
Cp,gas	424.60	J/mol×K	676.89	Calculated Property
Cp,gas	451.60	J/mol×K	757.67	Calculated Property
Cp,gas	474.81	J/mol×K	838.44	Calculated Property
Cp,gas	494.26	J/mol×K	919.22	Calculated Property
Cp,gas	510.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019514; 0.0001602]	Pa×s	[371.15; 623.93]	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			-1.24098e+01
Coefficient B			2.29022e+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.			371.15
Temperature range, max.			623.93
η	0.0019514	Pa×s	371.15	Calculated Property
η	0.0012642	Pa×s	399.24	Calculated Property
η	0.0008671	Pa×s	427.32	Calculated Property
η	0.0006231	Pa×s	455.41	Calculated Property
η	0.0004652	Pa×s	483.50	Calculated Property
η	0.0003587	Pa×s	511.58	Calculated Property
η	0.0002841	Pa×s	539.67	Calculated Property
η	0.0002303	Pa×s	567.75	Calculated Property
η	0.0001904	Pa×s	595.84	Calculated Property
η	0.0001602	Pa×s	623.93	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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