Chemical Properties of 3H-2-Benzopyran-3-one, 1,4-dihydro-

InChI

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

InChI Key

ILHLUZUMRJQEAH-UHFFFAOYSA-N

Formula

C9H8O2

SMILES

O=C1Cc2ccccc2CO1

Molecular Weight¹

148.16

Other Names

• 1,4-dihydro-3H-2-benzopyran-3-one
• 3-Isochromanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.22; 341.49]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.05500e+01
Coefficient B			8.52600e-01
Coefficient C			-6.57360e-04
Coefficient D			1.96800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.22	J/mol×K	273.00	Calculated Property
Cp,gas	177.52	J/mol×K	353.78	Calculated Property
Cp,gas	211.97	J/mol×K	434.56	Calculated Property
Cp,gas	241.18	J/mol×K	515.33	Calculated Property
Cp,gas	265.79	J/mol×K	596.11	Calculated Property
Cp,gas	286.41	J/mol×K	676.89	Calculated Property
Cp,gas	303.67	J/mol×K	757.67	Calculated Property
Cp,gas	318.19	J/mol×K	838.44	Calculated Property
Cp,gas	330.59	J/mol×K	919.22	Calculated Property
Cp,gas	341.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019616; 0.0004587]	Pa×s	[298.16; 508.20]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.74970e+00
Coefficient B			1.04824e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			298.16
Temperature range, max.			508.20
η	0.0019616	Pa×s	298.16	Calculated Property
η	0.0015197	Pa×s	321.50	Calculated Property
η	0.0012188	Pa×s	344.84	Calculated Property
η	0.0010052	Pa×s	368.17	Calculated Property
η	0.0008483	Pa×s	391.51	Calculated Property
η	0.0007297	Pa×s	414.85	Calculated Property
η	0.0006378	Pa×s	438.19	Calculated Property
η	0.0005651	Pa×s	461.53	Calculated Property
η	0.0005066	Pa×s	484.87	Calculated Property
η	0.0004587	Pa×s	508.20	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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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