Chemical Properties of 3-Hydroxy-4-methoxycinnamic acid (CAS 537-73-5)

InChI

InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

InChI Key

QURCVMIEKCOAJU-HWKANZROSA-N

Formula

C10H10O4

SMILES

COc1ccc(C=CC(=O)O)cc1O

Molecular Weight¹

194.18

CAS

537-73-5

Other Names

• 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-
• Cinnamic acid, 3-hydroxy-4-methoxy-
• Hesperetic acid
• Isoferulic 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_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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.82; 434.79]	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			-1.88100e+01
Coefficient B			9.77620e-01
Coefficient C			-7.86120e-04
Coefficient D			2.62100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.82	J/mol×K	273.00	Calculated Property
Cp,gas	240.27	J/mol×K	353.78	Calculated Property
Cp,gas	279.08	J/mol×K	434.56	Calculated Property
Cp,gas	312.09	J/mol×K	515.33	Calculated Property
Cp,gas	340.13	J/mol×K	596.11	Calculated Property
Cp,gas	364.03	J/mol×K	676.89	Calculated Property
Cp,gas	384.62	J/mol×K	757.67	Calculated Property
Cp,gas	402.72	J/mol×K	838.44	Calculated Property
Cp,gas	419.17	J/mol×K	919.22	Calculated Property
Cp,gas	434.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001690; 0.0000197]	Pa×s	[507.15; 663.77]	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			-1.77842e+01
Coefficient B			4.61425e+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.			507.15
Temperature range, max.			663.77
η	0.0001690	Pa×s	507.15	Calculated Property
η	0.0001249	Pa×s	524.55	Calculated Property
η	0.0000942	Pa×s	541.95	Calculated Property
η	0.0000723	Pa×s	559.36	Calculated Property
η	0.0000564	Pa×s	576.76	Calculated Property
η	0.0000446	Pa×s	594.16	Calculated Property
η	0.0000357	Pa×s	611.56	Calculated Property
η	0.0000290	Pa×s	628.96	Calculated Property
η	0.0000238	Pa×s	646.36	Calculated Property
η	0.0000197	Pa×s	663.77	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxy-4-methoxycinnamic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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