Chemical Properties of 4-Hydroxy-2-methoxycinnamaldehyde (CAS 127321-19-1)

InChI

InChI=1S/C10H10O3/c1-13-10-7-9(12)5-4-8(10)3-2-6-11/h2-7,12H,1H3/b3-2+

InChI Key

MRCGVXARHKOYKU-NSCUHMNNSA-N

Formula

C10H10O3

SMILES

COc1cc(O)ccc1C=CC=O

Molecular Weight¹

178.18

CAS

127321-19-1

Other Names

• (2 E)-3-(4-hydroxy-2-methoxyphenyl)-2-propenal

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[186.11; 414.79]	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			-1.20100e+01
Coefficient B			9.01320e-01
Coefficient C			-7.06520e-04
Coefficient D			2.32000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.11	J/mol×K	273.00	Calculated Property
Cp,gas	228.70	J/mol×K	353.78	Calculated Property
Cp,gas	265.28	J/mol×K	434.56	Calculated Property
Cp,gas	296.59	J/mol×K	515.33	Calculated Property
Cp,gas	323.36	J/mol×K	596.11	Calculated Property
Cp,gas	346.32	J/mol×K	676.89	Calculated Property
Cp,gas	366.21	J/mol×K	757.67	Calculated Property
Cp,gas	383.77	J/mol×K	838.44	Calculated Property
Cp,gas	399.71	J/mol×K	919.22	Calculated Property
Cp,gas	414.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007386; 0.0000380]	Pa×s	[412.27; 591.46]	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			-1.70052e+01
Coefficient B			4.03794e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			412.27
Temperature range, max.			591.46
η	0.0007386	Pa×s	412.27	Calculated Property
η	0.0004704	Pa×s	432.18	Calculated Property
η	0.0003117	Pa×s	452.09	Calculated Property
η	0.0002139	Pa×s	472.00	Calculated Property
η	0.0001513	Pa×s	491.91	Calculated Property
η	0.0001099	Pa×s	511.82	Calculated Property
η	0.0000818	Pa×s	531.73	Calculated Property
η	0.0000622	Pa×s	551.64	Calculated Property
η	0.0000482	Pa×s	571.55	Calculated Property
η	0.0000380	Pa×s	591.46	Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-2-methoxycinnamaldehyde.

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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