Chemical Properties of 6,7-Dimethoxy-2-phenethyl-4H-chromen-4-one (CAS 84294-87-1)

InChI

InChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3

InChI Key

MVQOWXHYPYRBOE-UHFFFAOYSA-N

Formula

C19H18O4

SMILES

COc1cc2oc(CCc3ccccc3)cc(=O)c2cc1OC

Molecular Weight¹

310.34

CAS

84294-87-1

Other Names

• 6,7-Dimethoxy-2-phenethylchromone
• 4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.8029		Relay (1.0) Calculated Property
ΔfG°	-93.05	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-323.24	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	130.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	3.595		Crippen Calculated Property
McVol	235.070	ml/mol	McGowan Calculated Property
Pc	1821.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[2891.40; 2891.40]
Inp	2891.40		NIST
Inp	2891.40		NIST
Tboil	709.42	K	Relay (1.0) Calculated Property
Tc	970.74	K	Relay (1.0) Calculated Property
Tfus	426.00	K	Relay (1.0) Calculated Property
Vc	0.884	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 6,7-Dimethoxy-2-phenethyl-4H-chromen-4-one.

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
• McGowan Method
• NIST Webbook

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