Chemical Properties of 3,4-Methylenedioxycinnamic acid (CAS 2373-80-0)

InChI

InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+

InChI Key

QFQYZMGOKIROEC-DUXPYHPUSA-N

Formula

C10H8O4

SMILES

O=C(O)C=Cc1ccc2c(c1)OCO2

Molecular Weight¹

192.17

CAS

2373-80-0

Other Names

• 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-
• 3,4-Methylenedioxybenzene-3-acrylic acid
• 3-(1,3-Benzodioxol-5-yl)-2-propenoic acid
• 3-(3,4-Methylenedioxyphenyl)propenoic acid
• Acetic acid, piperonylidene-
• Cinnamic acid, 3,4-(methylenebis(oxy))-
• Cinnamic acid, 3,4-(methylenedioxy)-
• trans-3,4-(methylenedioxy)cinnamic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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

Property	Value	Unit	Source
ΔcH°solid	[-4472.30; -4471.90]	kJ/mol
ΔcH°solid	-4472.30	kJ/mol	NIST
ΔcH°solid	-4471.90	kJ/mol	NIST
ΔfH°solid	-605.80	kJ/mol	NIST
ΔfusH°	33.83	kJ/mol	Joback Calculated Property
ΔvapH°	99.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Aq. Solubility Prediction
logPoct/wat	1.513		Crippen Calculated Property
McVol	132.020	ml/mol	McGowan Calculated Property
Tboil	604.70	K	Relay (1.0) Calculated Property
Tfus	430.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[338.06; 383.61]	J/mol×K	[680.36; 900.48]
Cp,gas	338.06	J/mol×K	680.36	Joback Calculated Property
Cp,gas	347.03	J/mol×K	717.05	Joback Calculated Property
Cp,gas	355.36	J/mol×K	753.73	Joback Calculated Property
Cp,gas	363.11	J/mol×K	790.42	Joback Calculated Property
Cp,gas	370.35	J/mol×K	827.11	Joback Calculated Property
Cp,gas	377.16	J/mol×K	863.80	Joback Calculated Property
Cp,gas	383.61	J/mol×K	900.48	Joback Calculated Property
η	[0.0001182; 0.0018426]	Pa×s	[434.91; 680.36]
η	0.0018426	Pa×s	434.91	Joback Calculated Property
η	0.0009577	Pa×s	475.82	Joback Calculated Property
η	0.0005521	Pa×s	516.73	Joback Calculated Property
η	0.0003450	Pa×s	557.63	Joback Calculated Property
η	0.0002300	Pa×s	598.54	Joback Calculated Property
η	0.0001614	Pa×s	639.45	Joback Calculated Property
η	0.0001182	Pa×s	680.36	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction 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.