Chemical Properties of 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester (CAS 5396-64-5)

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=Cc1ccc(OC)c(OC)c1

Molecular Weight¹

222.24

CAS

5396-64-5

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-220.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.44	kJ/mol	Joback Calculated Property
ΔfusH°	25.46	kJ/mol	Joback Calculated Property
ΔvapH°	59.84	kJ/mol	Joback Calculated Property
log10WS	-2.23		Crippen Calculated Property
logPoct/wat	1.890		Crippen Calculated Property
McVol	171.060	ml/mol	McGowan Calculated Property
Pc	2487.55	kPa	Joback Calculated Property
Inp	[1825.00; 1895.30]
Inp	1873.00		NIST
Inp	1873.00		NIST
Inp	1825.00		NIST
Inp	1895.30		NIST
Inp	1834.00		NIST
Inp	1834.00		NIST
Inp	1873.00		NIST
Tboil	635.89	K	Joback Calculated Property
Tc	847.87	K	Joback Calculated Property
Tfus	388.00	K	Joback Calculated Property
Vc	0.639	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.99; 493.81]	J/mol×K	[635.89; 847.87]
Cp,gas	422.99	J/mol×K	635.89	Joback Calculated Property
Cp,gas	436.66	J/mol×K	671.22	Joback Calculated Property
Cp,gas	449.59	J/mol×K	706.55	Joback Calculated Property
Cp,gas	461.77	J/mol×K	741.88	Joback Calculated Property
Cp,gas	473.21	J/mol×K	777.21	Joback Calculated Property
Cp,gas	483.89	J/mol×K	812.54	Joback Calculated Property
Cp,gas	493.81	J/mol×K	847.87	Joback Calculated Property
η	[0.0000976; 0.0006990]	Pa×s	[388.00; 635.89]
η	0.0006990	Pa×s	388.00	Joback Calculated Property
η	0.0004299	Pa×s	429.31	Joback Calculated Property
η	0.0002880	Pa×s	470.63	Joback Calculated Property
η	0.0002058	Pa×s	511.94	Joback Calculated Property
η	0.0001546	Pa×s	553.26	Joback Calculated Property
η	0.0001209	Pa×s	594.58	Joback Calculated Property
η	0.0000976	Pa×s	635.89	Joback Calculated Property

Similar Compounds

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

Sources

• 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.