Chemical Properties of 3,4-Methylenedioxyphenylacetic acid (CAS 2861-28-1)

InChI

InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)

InChI Key

ODVLMCWNGKLROU-UHFFFAOYSA-N

Formula

C9H8O4

SMILES

O=C(O)Cc1ccc2c(c1)OCO2

Molecular Weight¹

180.16

CAS

2861-28-1

Other Names

• 1,3-Benzodioxole-5-acetic acid
• Homopiperonylic acid
• benzo-1,3-dioxole-5-acetic acid
• 1,3-Benzodioxole-5-acetic acid (homopiperonylic 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.89; 381.94]	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			-2.75390e+01
Coefficient B			8.83100e-01
Coefficient C			-6.83320e-04
Coefficient D			2.09700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.89	J/mol×K	273.00	Calculated Property
Cp,gas	208.64	J/mol×K	353.78	Calculated Property
Cp,gas	244.39	J/mol×K	434.56	Calculated Property
Cp,gas	274.78	J/mol×K	515.33	Calculated Property
Cp,gas	300.49	J/mol×K	596.11	Calculated Property
Cp,gas	322.17	J/mol×K	676.89	Calculated Property
Cp,gas	340.50	J/mol×K	757.67	Calculated Property
Cp,gas	356.13	J/mol×K	838.44	Calculated Property
Cp,gas	369.72	J/mol×K	919.22	Calculated Property
Cp,gas	381.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013747; 0.0005121]	Pa×s	[478.57; 622.56]	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			-1.08592e+01
Coefficient B			2.04331e+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.			478.57
Temperature range, max.			622.56
η	0.0013747	Pa×s	478.57	Calculated Property
η	0.0011973	Pa×s	494.57	Calculated Property
η	0.0010519	Pa×s	510.57	Calculated Property
η	0.0009315	Pa×s	526.57	Calculated Property
η	0.0008308	Pa×s	542.56	Calculated Property
η	0.0007458	Pa×s	558.56	Calculated Property
η	0.0006736	Pa×s	574.56	Calculated Property
η	0.0006117	Pa×s	590.56	Calculated Property
η	0.0005584	Pa×s	606.56	Calculated Property
η	0.0005121	Pa×s	622.56	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Methylenedioxyphenylacetic acid.

Sources

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

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