Chemical Properties of 4H-1-Benzopyran-4-one, 2,3-dihydro- (CAS 491-37-2)

InChI

InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2

InChI Key

MSTDXOZUKAQDRL-UHFFFAOYSA-N

Formula

C9H8O2

SMILES

O=C1CCOc2ccccc21

Molecular Weight¹

148.16

CAS

491-37-2

Other Names

• 2,3-Dihydro-2-benzopyran-4-one
• 2,3-Dihydro-4-benzopyranone
• 2,3-dihydro-4H-1-benzopyran-4-one
• 4-Chromanone
• Chroman-4-one
• Chromanone
• Isochromanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	-24.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-186.75	kJ/mol	Joback Calculated Property
ΔfusH°	16.72	kJ/mol	Experim...
ΔsubH°	84.60 ± 1.30	kJ/mol	NIST
ΔvapH°	47.72	kJ/mol	Joback Calculated Property
log10WS	-2.15		Crippen Calculated Property
logPoct/wat	1.652		Crippen Calculated Property
McVol	110.490	ml/mol	McGowan Calculated Property
Pc	4151.61	kPa	Joback Calculated Property
Inp	1390.00		NIST
I	[2442.00; 2450.00]
I	2442.00		NIST
I	2450.00		NIST
Tboil	547.43	K	Joback Calculated Property
Tc	799.04	K	Joback Calculated Property
Tfus	343.58	K	Joback Calculated Property
Vc	0.409	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.63; 321.13]	J/mol×K	[547.43; 799.04]
Cp,gas	251.63	J/mol×K	547.43	Joback Calculated Property
Cp,gas	265.51	J/mol×K	589.36	Joback Calculated Property
Cp,gas	278.43	J/mol×K	631.30	Joback Calculated Property
Cp,gas	290.42	J/mol×K	673.23	Joback Calculated Property
Cp,gas	301.51	J/mol×K	715.17	Joback Calculated Property
Cp,gas	311.73	J/mol×K	757.10	Joback Calculated Property
Cp,gas	321.13	J/mol×K	799.04	Joback Calculated Property
ΔfusH	16.70	kJ/mol	312.30	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 4H-1-Benzopyran-4-one, 2,3-dihydro-.

Sources

• Crippen Method
• Crippen Method
• Experimental and computational thermochemistry of the isomers: Chromanone, 3-isochromanone, and dihydrocoumarin
• Joback Method
• McGowan Method
• NIST Webbook

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