Chemical Properties of (E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one (CAS 1775-97-9)

InChI

InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+

InChI Key

QKQLSQLKXBHUSO-CMDGGOBGSA-N

Formula

C17H16O4

SMILES

COc1cc(O)c(C(=O)C=Cc2ccccc2)c(OC)c1

Molecular Weight¹

284.31

CAS

1775-97-9

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.8025		Relay (... Calculated Property
ΔfG°	-115.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-383.29	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.05	kJ/mol	Joback Calculated Property
ΔvapH°	105.51	kJ/mol	Relay (... Calculated Property
IE	7.84	eV	Relay (... Calculated Property
log10WS	-4.73		Relay (... Calculated Property
logPoct/wat	3.305		Crippen Calculated Property
McVol	217.750	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Inp	[2636.10; 2636.10]
Inp	2636.10		NIST
Inp	2636.10		NIST
Tboil	641.01	K	Relay (... Calculated Property
Tc	942.55	K	Relay (... Calculated Property
Tfus	401.48	K	Relay (... Calculated Property
Vc	0.761	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[621.41; 690.89]	J/mol×K	[835.17; 1077.37]
Cp,gas	621.41	J/mol×K	835.17	Joback Calculated Property
Cp,gas	634.78	J/mol×K	875.54	Joback Calculated Property
Cp,gas	647.31	J/mol×K	915.90	Joback Calculated Property
Cp,gas	659.08	J/mol×K	956.27	Joback Calculated Property
Cp,gas	670.20	J/mol×K	996.64	Joback Calculated Property
Cp,gas	680.77	J/mol×K	1037.01	Joback Calculated Property
Cp,gas	690.89	J/mol×K	1077.37	Joback Calculated Property
η	[0.0000039; 0.0000678]	Pa×s	[560.26; 835.17]
η	0.0000678	Pa×s	560.26	Joback Calculated Property
η	0.0000352	Pa×s	606.08	Joback Calculated Property
η	0.0000201	Pa×s	651.90	Joback Calculated Property
η	0.0000123	Pa×s	697.72	Joback Calculated Property
η	0.0000080	Pa×s	743.53	Joback Calculated Property
η	0.0000055	Pa×s	789.35	Joback Calculated Property
η	0.0000039	Pa×s	835.17	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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