Chemical Properties of 7-Oxabicyclo[2.2.1]heptanone, 3,5,6-trimethylidene- (CAS 127750-96-3)

7-Oxabicyclo[2.2.1]heptanone, 3,5,6-trimethylidene-

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InChI
InChI=1S/C9H8O2/c1-4-5(2)9-7(10)6(3)8(4)11-9/h8-9H,1-3H2
InChI Key
HLQGJHVUXDBZQM-UHFFFAOYSA-N
Formula
C9H8O2
SMILES
C=C1C(=C)C2OC1C(=C)C2=O
Molecular Weight1
148.16
CAS
127750-96-3
Sources

Physical Properties

Property Value Unit Source
Δf 84.83 kJ/mol Joback Calculated Property
Δfgas -106.63 kJ/mol Joback Calculated Property
Δfus 17.25 kJ/mol Joback Calculated Property
Δvap 44.86 kJ/mol Joback Calculated Property
IE 8.80 eV NIST
IE 9.20 eV NIST
logPoct/wat 1.01 Crippen Calculated Property
Pc 3403.91 kPa Joback Calculated Property
Tboil 515.32 K Joback Calculated Property
Tc 737.13 K Joback Calculated Property
Tfus 359.38 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 254.31 J/mol×K 515.32 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-O- (ring) 1
>C=O (ring) 1
>CH- (ring) 2
=CH2 3

Similar Compounds

7-Oxabicyclo[2.2.1]heptane-2,5-dione, 3,6-dimethylidene-. 1,5-Epoxy-nor-ketoguaiene. Laciniatafuranone A. Laciniata furanone F. (2R,2'S,5R,5'S)-2,5'-Dimethyl-5-(prop-1-en-2-yl)-5'-vinylhexahydro-[2,2'-bifuran]-3(2H)-one. Laciniata furanone G. Lanciniata furanone F. (2S,2'S,5S,5'S)-2,5'-Dimethyl-5-(prop-1-en-2-yl)-5'-vinylhexahydro-[2,2'-bifuran]-3(2H)-one. Laciniata furanone H. Laciniata furanone E. Piperitenone oxide. trans-Piperitenone oxide. 1,5,5-trimethyl-9-oxabicyclo[4.3]non-6-en-3-one. 3-oxo-3,4-dihydro-actinidiolide. 8,9-dehydrotheaspirone.

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