Chemical Properties of 2'-Hydroxy-4,4',5',6'-tetramethoxychalcone

InChI

InChI=1S/C19H20O6/c1-22-13-8-5-12(6-9-13)7-10-14(20)17-15(21)11-16(23-2)18(24-3)19(17)25-4/h5-11,21H,1-4H3/b10-7+

InChI Key

FRISOFZUHCOQEC-JXMROGBWSA-N

Formula

C19H20O6

SMILES

COc1ccc(/C=C/C(=O)c2c(O)cc(OC)c(OC)c2OC)cc1

Molecular Weight¹

344.36

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[369.66; 805.20]	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			6.12600e+01
Coefficient B			1.30688e+00
Coefficient C			-6.81500e-04
Coefficient D			1.18560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.66	J/mol×K	273.00	Calculated Property
Cp,gas	443.56	J/mol×K	353.78	Calculated Property
Cp,gas	510.21	J/mol×K	434.56	Calculated Property
Cp,gas	569.98	J/mol×K	515.33	Calculated Property
Cp,gas	623.25	J/mol×K	596.11	Calculated Property
Cp,gas	670.39	J/mol×K	676.89	Calculated Property
Cp,gas	711.79	J/mol×K	757.67	Calculated Property
Cp,gas	747.80	J/mol×K	838.44	Calculated Property
Cp,gas	778.81	J/mol×K	919.22	Calculated Property
Cp,gas	805.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000150; 0.0000030]	Pa×s	[652.30; 819.03]	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			-1.90543e+01
Coefficient B			5.18485e+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.			652.30
Temperature range, max.			819.03
η	0.0000150	Pa×s	652.30	Calculated Property
η	0.0000121	Pa×s	670.83	Calculated Property
η	0.0000098	Pa×s	689.35	Calculated Property
η	0.0000081	Pa×s	707.88	Calculated Property
η	0.0000067	Pa×s	726.40	Calculated Property
η	0.0000056	Pa×s	744.93	Calculated Property
η	0.0000047	Pa×s	763.46	Calculated Property
η	0.0000040	Pa×s	781.98	Calculated Property
η	0.0000034	Pa×s	800.51	Calculated Property
η	0.0000030	Pa×s	819.03	Calculated Property

Similar Compounds

Find more compounds similar to 2'-Hydroxy-4,4',5',6'-tetramethoxychalcone.

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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