Chemical Properties of Coumarin-d6

Coumarin-d6

InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H/i1D,2D,3D,4D,5D,6D
InChI Key
ZYGHJZDHTFUPRJ-MZWXYZOWSA-N
Formula
C9D6O2
SMILES
O=c1ccc2ccccc2o1
Molecular Weight1
152.18
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Physical Properties

Property Value Unit Source
ω 0.4551 Relay (1.0) Calculated Property
ΔfG° -78.69 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -165.11 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 82.70 kJ/mol Relay (1.0) Calculated Property
IE 8.68 eV Relay (1.0) Calculated Property
log10WS -2.09 Relay (1.0) Calculated Property
logPoct/wat 1.793 Crippen Calculated Property
McVol 106.190 ml/mol McGowan Calculated Property
Pc 4460.55 kPa Relay (1.0-beta) Calculated Property
Tboil 565.00 K Relay (1.0) Calculated Property
Tc 787.16 K Relay (1.0) Calculated Property
Tfus 337.01 K Relay (1.0) Calculated Property
Vc 0.401 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Coumarin. 6-Iodocoumarin. 6-Chlorocoumarin. Chryseno[4,5-bcd]pyranone. 6H-Dibenzo(b,d)pyran-6-one. 4-Oxapyrene-5-one. 7-Chlorocoumarin. Ficusin. 2H-1-Benzopyran-2-one, 6-hydroxy-. 6-Cyanocoumarin. 7-Hydroxycoumarin. 2H-1-Benzopyran-2-one, 6-amino-. Isopsoralen. 6-Methoxycoumarin. 2H-1-Benzopyran-2-one, 6-methyl-.

Find more compounds similar to Coumarin-d6.

Sources

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