Chemical Properties of 2H-1-Benzopyran-2-one, 7-methyl- (CAS 2445-83-2)

InChI

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

InChI Key

DLHXRDUXNVEIEY-UHFFFAOYSA-N

Formula

C10H8O2

SMILES

Cc1ccc2ccc(=O)oc2c1

Molecular Weight¹

160.17

CAS

2445-83-2

Other Names

• 7-Methylcoumarin
• Coumarin, 7-methyl-
• 7-Methyl-2H-1-benzopyran-2-one

• ω : Acentric Factor.
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4921		Relay (1.0) Calculated Property
ΔfH°gas	-201.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-2.67		Relay (1.0) Calculated Property
logPoct/wat	2.101		Crippen Calculated Property
McVol	120.280	ml/mol	McGowan Calculated Property
Pc	3830.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[1545.00; 1586.00]
Inp	1545.00		NIST
Inp	1562.00		NIST
Inp	1574.00		NIST
Inp	1586.00		NIST
Inp	1553.00		NIST
Inp	1553.00		NIST
Inp	1545.00		NIST
I	[2620.00; 2620.00]
I	2620.00		NIST
I	2620.00		NIST
Tboil	582.28	K	Relay (1.0) Calculated Property
Tc	791.80	K	Relay (1.0) Calculated Property
Tfus	367.03	K	Relay (1.0) Calculated Property
Vc	0.454	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran-2-one, 7-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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