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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.10; 433.53]	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			-2.84480e+01
Coefficient B			9.78100e-01
Coefficient C			-7.37720e-04
Coefficient D			2.21600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.10	J/mol×K	273.00	Calculated Property
Cp,gas	235.06	J/mol×K	353.78	Calculated Property
Cp,gas	275.47	J/mol×K	434.56	Calculated Property
Cp,gas	310.01	J/mol×K	515.33	Calculated Property
Cp,gas	339.40	J/mol×K	596.11	Calculated Property
Cp,gas	364.34	J/mol×K	676.89	Calculated Property
Cp,gas	385.51	J/mol×K	757.67	Calculated Property
Cp,gas	403.64	J/mol×K	838.44	Calculated Property
Cp,gas	419.41	J/mol×K	919.22	Calculated Property
Cp,gas	433.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013340; 0.0004912]	Pa×s	[489.84; 635.28]	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			-1.09832e+01
Coefficient B			2.13747e+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.			489.84
Temperature range, max.			635.28
η	0.0013340	Pa×s	489.84	Calculated Property
η	0.0011605	Pa×s	506.00	Calculated Property
η	0.0010183	Pa×s	522.16	Calculated Property
η	0.0009005	Pa×s	538.32	Calculated Property
η	0.0008021	Pa×s	554.48	Calculated Property
η	0.0007191	Pa×s	570.64	Calculated Property
η	0.0006487	Pa×s	586.80	Calculated Property
η	0.0005883	Pa×s	602.96	Calculated Property
η	0.0005363	Pa×s	619.12	Calculated Property
η	0.0004912	Pa×s	635.28	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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.