Chemical Properties of Levoglucosenone (CAS 37112-31-5)

Levoglucosenone

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InChI
InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2
InChI Key
HITOXZPZGPXYHY-UHFFFAOYSA-N
Formula
C6H6O3
SMILES
O=C1C=CC2COC1O2
Molecular Weight1
126.11
CAS
37112-31-5
Sources

Physical Properties

Property Value Unit Source
Δf -167.93 kJ/mol Joback Calculated Property
Δfgas -377.81 kJ/mol Joback Calculated Property
Δfus 20.06 kJ/mol Joback Calculated Property
Δvap 42.68 kJ/mol Joback Calculated Property
logPoct/wat -0.13 Crippen Calculated Property
Pc 4883.38 kPa Joback Calculated Property
Tboil 479.58 K Joback Calculated Property
Tc 716.24 K Joback Calculated Property
Tfus 308.34 K Joback Calculated Property
Vc 0.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 189.75 J/mol×K 479.58 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
>C=O (ring) 1
>CH- (ring) 2
-CH2- (ring) 1
=CH- (ring) 2

Similar Compounds

neral propylene glycol acetal (isomer). Riesling acetal. Spiro-ether. 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl (E)-2-methylbut-2-enoate. 2,2,6,8-Tetramethyl-7,11-dioxatricyclo(6.2.1.0)-1,6-undec-4-ene. Riesling acetal. 2-t-Butyl-5-propyl-[1,3]dioxolan-4-one. 7-Oxy-6, 8-dioxabicyclo-(3,2,1) - octane. 2,2,7,7-Tetramethyl-1,6-dioxaspiro{4,4]-non-3-ene. 1,4:3,6-dianhydro-5-deoxy-2-O-(trifluoroacetyl)-D-xylo-hex-5-enitol. Artedouglasia oxide D. (S)-2,6,6-Trimethyl-2-((2S,5S)-5-methyl-5-vinyltetrahydrofuran-2-yl)-2H-pyran-3(6H)-one. (S)-2,6,6-Trimethyl-2-((2S,5R)-5-methyl-5-vinyltetrahydrofuran-2-yl)-2H-pyran-3(6H)-one. Artedouglasia oxide B. Artedouglasia oxide C.

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