Chemical Properties of 2'-Hydroxy-3,3',4,4',5',6'-hexamethoxy-chalcone (CAS 78417-27-3)

InChI

InChI=1S/C21H24O8/c1-24-14-10-8-12(11-15(14)25-2)7-9-13(22)16-17(23)19(27-4)21(29-6)20(28-5)18(16)26-3/h7-11,23H,1-6H3/b9-7+

InChI Key

YJWMUOUYEWHGFK-VQHVLOKHSA-N

Formula

C21H24O8

SMILES

COc1ccc(C=CC(=O)c2c(O)c(OC)c(OC)c(OC)c2OC)cc1OC

Molecular Weight¹

404.41

CAS

78417-27-3

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	50.61	kJ/mol	Joback Calculated Property
log10WS	-3.58		Relay (1.0) Calculated Property
logPoct/wat	3.340		Crippen Calculated Property
McVol	297.590	ml/mol	McGowan Calculated Property
Inp	[3220.50; 3220.50]
Inp	3220.50		NIST
Inp	3220.50		NIST
Tboil	691.86	K	Relay (1.0) Calculated Property
Tfus	436.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[950.71; 993.44]	J/mol×K	[1036.29; 1273.60]
Cp,gas	950.71	J/mol×K	1036.29	Joback Calculated Property
Cp,gas	961.68	J/mol×K	1075.84	Joback Calculated Property
Cp,gas	971.12	J/mol×K	1115.39	Joback Calculated Property
Cp,gas	979.02	J/mol×K	1154.94	Joback Calculated Property
Cp,gas	985.38	J/mol×K	1194.50	Joback Calculated Property
Cp,gas	990.19	J/mol×K	1234.05	Joback Calculated Property
Cp,gas	993.44	J/mol×K	1273.60	Joback Calculated Property
η	[0.0000005; 0.0000039]	Pa×s	[744.34; 1036.29]
η	0.0000039	Pa×s	744.34	Joback Calculated Property
η	0.0000024	Pa×s	793.00	Joback Calculated Property
η	0.0000016	Pa×s	841.66	Joback Calculated Property
η	0.0000011	Pa×s	890.32	Joback Calculated Property
η	0.0000008	Pa×s	938.97	Joback Calculated Property
η	0.0000006	Pa×s	987.63	Joback Calculated Property
η	0.0000005	Pa×s	1036.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2'-Hydroxy-3,3',4,4',5',6'-hexamethoxy-chalcone.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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