Chemical Properties of 4H-1-Benzopyran-4-one (CAS 491-38-3)

4H-1-Benzopyran-4-one

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InChI
InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChI Key
OTAFHZMPRISVEM-UHFFFAOYSA-N
Formula
C9H6O2
SMILES
O=c1ccoc2ccccc12
Molecular Weight1
146.14
CAS
491-38-3
Other Names
  • 4H-benzo[b]pyran-4-one
  • Benzo-«gamma»-pyrone
  • Chromone
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4169.30 ± 2.90 kJ/mol NIST
Δfgas -148.50 ± 2.90 kJ/mol NIST
Δfsolid -229.80 ± 2.90 kJ/mol NIST
Δsub [81.29; 86.50] kJ/mol Show Hide
Δsub 86.50 ± 1.10 kJ/mol NIST
Δsub 81.29 ± 0.16 kJ/mol NIST
Δsub 81.30 kJ/mol NIST
Δsub 81.30 ± 0.20 kJ/mol NIST
logPoct/wat 1.793 Crippen Calculated Property
Ttriple 330.27 ± 0.04 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid 176.80 J/mol×K 298.15 NIST
ΔfusH 15.44 kJ/mol 329.9 NIST
ΔfusH 17.31 kJ/mol 330.27 NIST
ΔfusH 17.31 kJ/mol 330.3 NIST
ΔvapH 81.29 kJ/mol 298.15 NIST

Similar Compounds

Xanthone. 4H-1-benzopyran-4-one, 2-methyl-. 3-Bromochromone. 9H-xanthen-9-one, 1-hydroxy-. Chromone-3-carboxaldehyde. Coumarin. Chromone-3-carbonitrile. 6H-Dibenzo(b,d)pyran-6-one. 2-Phenethyl-4H-chromen-4-one. Chryseno[4,5-bcd]pyranone. 4-Oxapyrene-5-one. 2H-1-benzopyran-2-one, 6-hydroxy-. 6-Chlorocoumarin. 2H-1-Benzopyran-2-one, 6-methyl-. Flavone.

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