Chemical Properties of Cinnamic acid, 2-hydroxy-3-methoxy- (CAS 3626-94-6)

InChI

InChI=1S/C10H10O4/c1-14-8-4-2-3-7(10(8)13)5-6-9(11)12/h2-6,13H,1H3,(H,11,12)/b6-5+

InChI Key

VZFPHVWLPRCAGD-AATRIKPKSA-N

Formula

C10H10O4

SMILES

COc1cccc(C=CC(=O)O)c1O

Molecular Weight¹

194.18

CAS

3626-94-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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, 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	[0.0001125; 0.0000197]	Pa×s	[530.87; 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
Temperature range, min.			530.87
Temperature range, max.			663.77
η	0.0001125	Pa×s	530.87	Calculated Property
η	0.0000889	Pa×s	545.64	Calculated Property
η	0.0000712	Pa×s	560.40	Calculated Property
η	0.0000576	Pa×s	575.17	Calculated Property
η	0.0000471	Pa×s	589.93	Calculated Property
η	0.0000389	Pa×s	604.70	Calculated Property
η	0.0000325	Pa×s	619.47	Calculated Property
η	0.0000273	Pa×s	634.23	Calculated Property
η	0.0000231	Pa×s	649.00	Calculated Property
η	0.0000197	Pa×s	663.77	Calculated Property

Similar Compounds

Find more compounds similar to Cinnamic acid, 2-hydroxy-3-methoxy-.

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

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