Chemical Properties of (E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (CAS 64680-84-8)

InChI

InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+

InChI Key

CGIBCVBDFUTMPT-RMKNXTFCSA-N

Formula

C18H18O5

SMILES

COc1ccc(C=CC(=O)c2c(O)cc(OC)cc2OC)cc1

Molecular Weight¹

314.33

CAS

64680-84-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-221.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-545.53	kJ/mol	Joback Calculated Property
ΔfusH°	40.44	kJ/mol	Joback Calculated Property
ΔvapH°	89.15	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.314		Crippen Calculated Property
McVol	237.710	ml/mol	McGowan Calculated Property
Pc	2233.41	kPa	Joback Calculated Property
Inp	[2964.90; 2964.90]
Inp	2964.90		NIST
Inp	2964.90		NIST
Tboil	885.45	K	Joback Calculated Property
Tc	1122.36	K	Joback Calculated Property
Tfus	606.28	K	Joback Calculated Property
Vc	0.834	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.18; 769.48]	J/mol×K	[885.45; 1122.36]
Cp,gas	702.18	J/mol×K	885.45	Joback Calculated Property
Cp,gas	715.41	J/mol×K	924.94	Joback Calculated Property
Cp,gas	727.75	J/mol×K	964.42	Joback Calculated Property
Cp,gas	739.25	J/mol×K	1003.91	Joback Calculated Property
Cp,gas	750.00	J/mol×K	1043.39	Joback Calculated Property
Cp,gas	760.05	J/mol×K	1082.88	Joback Calculated Property
Cp,gas	769.48	J/mol×K	1122.36	Joback Calculated Property
η	[0.0000023; 0.0000312]	Pa×s	[606.28; 885.45]
η	0.0000312	Pa×s	606.28	Joback Calculated Property
η	0.0000173	Pa×s	652.81	Joback Calculated Property
η	0.0000104	Pa×s	699.34	Joback Calculated Property
η	0.0000066	Pa×s	745.87	Joback Calculated Property
η	0.0000045	Pa×s	792.39	Joback Calculated Property
η	0.0000031	Pa×s	838.92	Joback Calculated Property
η	0.0000023	Pa×s	885.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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