Chemical Properties of 4H-1-Benzopyran-4-one, 2-methyl- (CAS 5751-48-4)

InChI

InChI=1S/C10H8O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3

InChI Key

PXPNSQMWVPLERM-UHFFFAOYSA-N

Formula

C10H8O2

SMILES

Cc1cc(=O)c2ccccc2o1

Molecular Weight¹

160.17

CAS

5751-48-4

Other Names

• 2-Methyl-4-chromone
• 2-Methylchromone
• Chromone, 2-methyl-

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-171.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-2.04		Relay (1.0) Calculated Property
logPoct/wat	2.101		Crippen Calculated Property
McVol	120.280	ml/mol	McGowan Calculated Property
Pc	3790.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[1318.00; 1318.00]
Inp	1318.00		NIST
Inp	1318.00		NIST
Tboil	563.71	K	Relay (1.0) Calculated Property
Tc	799.04	K	Relay (1.0) Calculated Property
Tfus	353.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 4H-1-Benzopyran-4-one, 2-methyl-.

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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