Chemical Properties of 2-Phenethyl-4H-chromen-4-one

InChI

InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2

InChI Key

VNZNWFQJBFLELF-UHFFFAOYSA-N

Formula

C17H14O2

SMILES

O=c1cc(CCc2ccccc2)oc2ccccc12

Molecular Weight¹

250.30

Other Names

• Flidersiachromone
• Flindersiachromone
• 2-(2-Phenylethyl)chromone
• 4H-1-Benzopyran-4-one, 2-(2-phenylethyl)-
• Chromone, 2-(2-phenylethyl)

• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-30.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	3.578		Crippen Calculated Property
McVol	195.150	ml/mol	McGowan Calculated Property
Inp	[2296.00; 2346.40]
Inp	2296.00		NIST
Inp	2346.40		NIST
Inp	2296.00		NIST
Inp	2346.40		NIST
Tfus	372.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Find more compounds similar to 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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