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

InChI

InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12)

InChI Key

UIYJGLLTSVRSBM-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

O=C(O)CCc1ccc2c(c1)OCO2

Molecular Weight¹

194.19

Other Names

• 1,3-Benzodioxole-5-propanoic acid
• 3,4-(Methylenedioxy)hydrocinnamic acid
• 3-(3,4-Methylenedioxyphenyl)propionic acid
• Hydrocinnamic acid, 3,4-(methylenedioxy)-
• benzo-1,3-dioxole-5-propionic 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_vapH° : Enthalpy of vaporization at standard conditions (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, 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	[361.32; 410.80]	J/mol×K	[676.20; 888.16]
Cp,gas	361.32	J/mol×K	676.20	Joback Calculated Property
Cp,gas	371.03	J/mol×K	711.53	Joback Calculated Property
Cp,gas	380.09	J/mol×K	746.85	Joback Calculated Property
Cp,gas	388.54	J/mol×K	782.18	Joback Calculated Property
Cp,gas	396.44	J/mol×K	817.51	Joback Calculated Property
Cp,gas	403.84	J/mol×K	852.84	Joback Calculated Property
Cp,gas	410.80	J/mol×K	888.16	Joback Calculated Property
η	[0.0001390; 0.0019615]	Pa×s	[439.99; 676.20]
η	0.0019615	Pa×s	439.99	Joback Calculated Property
η	0.0010527	Pa×s	479.36	Joback Calculated Property
η	0.0006209	Pa×s	518.73	Joback Calculated Property
η	0.0003946	Pa×s	558.10	Joback Calculated Property
η	0.0002662	Pa×s	597.46	Joback Calculated Property
η	0.0001885	Pa×s	636.83	Joback Calculated Property
η	0.0001390	Pa×s	676.20	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.