Chemical Properties of Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate) (CAS 20733-94-2)

InChI

InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+

InChI Key

JHLPYWLKSLVYOI-SNAWJCMRSA-N

Formula

C12H14O5

SMILES

COC(=O)C=Cc1cc(OC)c(O)c(OC)c1

Molecular Weight¹

238.24

CAS

20733-94-2

Other Names

• 3,5-dimethoxy-4-hydroxy cinnamic acid methyl ester

• 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_fusH : Enthalpy of fusion at a given temperature (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°	-375.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-646.75	kJ/mol	Joback Calculated Property
ΔfusH°	[29.86; 29.86]	kJ/mol
ΔfusH°	29.86	kJ/mol	Solubil...
ΔfusH°	29.86	kJ/mol	Solubil...
ΔvapH°	72.85	kJ/mol	Joback Calculated Property
log10WS	-1.78		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	176.930	ml/mol	McGowan Calculated Property
Pc	2902.98	kPa	Joback Calculated Property
Inp	2092.10		NIST
Tboil	716.51	K	Joback Calculated Property
Tc	937.06	K	Joback Calculated Property
Tfus	499.72	K	Joback Calculated Property
Vc	0.606	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[472.30; 535.81]	J/mol×K	[716.51; 937.06]
Cp,gas	472.30	J/mol×K	716.51	Joback Calculated Property
Cp,gas	484.50	J/mol×K	753.27	Joback Calculated Property
Cp,gas	496.01	J/mol×K	790.03	Joback Calculated Property
Cp,gas	506.86	J/mol×K	826.78	Joback Calculated Property
Cp,gas	517.09	J/mol×K	863.54	Joback Calculated Property
Cp,gas	526.73	J/mol×K	900.30	Joback Calculated Property
Cp,gas	535.81	J/mol×K	937.06	Joback Calculated Property
η	[0.0000082; 0.0001238]	Pa×s	[499.72; 716.51]
η	0.0001238	Pa×s	499.72	Joback Calculated Property
η	0.0000677	Pa×s	535.85	Joback Calculated Property
η	0.0000399	Pa×s	571.98	Joback Calculated Property
η	0.0000251	Pa×s	608.12	Joback Calculated Property
η	0.0000166	Pa×s	644.25	Joback Calculated Property
η	0.0000115	Pa×s	680.38	Joback Calculated Property
η	0.0000082	Pa×s	716.51	Joback Calculated Property
ΔfusH	29.85	kJ/mol	361.80	NIST

Similar Compounds

Find more compounds similar to Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate).

Mixtures

• 2-Propanol, 2-methyl- + Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate)
• Amylene hydrate + Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate)
• Ethyl Acetate + Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate)
• n-Hexane + Methyl 4-hydroxy-3,5-dimethoxycinnamate (methyl sinapate)

Sources

• Crippen Method
• Crippen Method
• Solubilities of cinnamic acid esters in binary mixtures of ionic liquids and organic solvents
• Solubilities of Cinnamic Acid Esters in Ionic Liquids
• Solubilities of Cinnamic Acid Esters in Organic Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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