Chemical Properties of 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester

InChI

InChI=1S/C12H14O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8H,1-3H3/b7-5-

InChI Key

JXRYDOZRPYFBKO-FNORWQNLSA-N

Formula

C12H14O4

SMILES

COC(=O)/C=C/c1ccc(OC)c(OC)c1

Molecular Weight¹

222.24

Other Names

• Cinnamic acid, 3,4-dimethoxy-, methyl ester
• Methyl 3,4-dimethoxycinnamate
• 3,4-O-Dimethylcaffeic acid methyl ester
• Methyl ester of 3,4-Dimethoxycinnamic acid
• 3,4-Dimethoxy-trans-cinnamic acid,methyl ester
• Methyl 3-(3,4-dimethoxyphenyl)-2-propenoate
• Methyl 3-(3,4-dimethoxyphenyl)acrylate
• Methyl 3-(3,4-dimethoxyphenyl)-prop-2-enoate
• 3,4-Dimethoxy methyl cinnamate

• 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).
• I_np : Non-polar retention indices.
• 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
ΔfusH°	27.05	kJ/mol	Joback Calculated Property
ΔvapH°	89.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	1.890		Crippen Calculated Property
McVol	171.060	ml/mol	McGowan Calculated Property
Inp	[1825.00; 1895.30]
Inp	1834.00		NIST
Inp	1873.00		NIST
Inp	1873.00		NIST
Inp	1873.00		NIST
Inp	1825.00		NIST
Inp	1895.30		NIST
Inp	1834.00		NIST
Tboil	590.63	K	Relay (1.0) Calculated Property
Tfus	378.70	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	[419.03; 490.75]	J/mol×K	[618.02; 827.92]
Cp,gas	419.03	J/mol×K	618.02	Joback Calculated Property
Cp,gas	432.93	J/mol×K	653.00	Joback Calculated Property
Cp,gas	446.06	J/mol×K	687.99	Joback Calculated Property
Cp,gas	458.41	J/mol×K	722.97	Joback Calculated Property
Cp,gas	469.98	J/mol×K	757.95	Joback Calculated Property
Cp,gas	480.76	J/mol×K	792.93	Joback Calculated Property
Cp,gas	490.75	J/mol×K	827.92	Joback Calculated Property
η	[0.0000877; 0.0008981]	Pa×s	[358.17; 618.02]
η	0.0008981	Pa×s	358.17	Joback Calculated Property
η	0.0004945	Pa×s	401.48	Joback Calculated Property
η	0.0003058	Pa×s	444.79	Joback Calculated Property
η	0.0002060	Pa×s	488.10	Joback Calculated Property
η	0.0001480	Pa×s	531.40	Joback Calculated Property
η	0.0001117	Pa×s	574.71	Joback Calculated Property
η	0.0000877	Pa×s	618.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester.

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
• 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.
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