Chemical Properties of 4H-Pyran-4-one (CAS 108-97-4)

4H-Pyran-4-one

InChI
InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H
InChI Key
CVQUWLDCFXOXEN-UHFFFAOYSA-N
Formula
C5H4O2
SMILES
O=c1ccocc1
Molecular Weight1
96.08
CAS
108-97-4
Other Names
  • «gamma»-Pyrone
  • Pyran-4-one
  • 4-Pyrone
  • 4H-Pyran, 4-oxo-
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Physical Properties

Property Value Unit Source
ω 0.3589 Relay (1.0) Calculated Property
ΔfG° -135.22 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -148.78 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 79.43 kJ/mol Relay (1.0) Calculated Property
IE 9.35 ± 0.05 eV NIST
log10WS 0.31 Relay (1.0) Calculated Property
logPoct/wat 0.640 Crippen Calculated Property
McVol 69.290 ml/mol McGowan Calculated Property
Pc 5283.58 kPa Relay (1.0-beta) Calculated Property
Tboil 485.70 K NIST
Tc 628.13 K Relay (1.0) Calculated Property
Tfus 347.34 K Relay (1.0) Calculated Property
Vc 0.240 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2H-Pyran-2-one. 4H-1-Benzopyran-4-one. [2,3-d]-Furocycloheptatrienone. 4-Methyl-5,6-dihydropyran-2-one. Furan. Benzofuran. Naphtho[2,1-b]furan. Maltol. 4H-Pyran-4-one, 5-hydroxy-2-methyl-. Furan, 3-chloro-. Ficusin. 4H-Pyran-4-one, 2,6-dimethyl-. 3-hydroxy-2-pyranone. Furan, 3-bromo-. Isopsoralen.

Find more compounds similar to 4H-Pyran-4-one.

Sources

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