Chemical Properties of 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione (CAS 6617-34-1)

3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione

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InChI
InChI=1S/C10H12O2/c1-5-4-6(11)7-8(9(5)12)10(7,2)3/h4,7-8H,1-3H3
InChI Key
BBRJZZUFDYMNIY-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CC1=CC(=O)C2C(C1=O)C2(C)C
Molecular Weight1
164.20
CAS
6617-34-1
Sources

Physical Properties

Property Value Unit Source
Δf -95.33 kJ/mol Joback Calculated Property
Δfgas -344.48 kJ/mol Joback Calculated Property
Δfus 10.45 kJ/mol Joback Calculated Property
Δvap 45.84 kJ/mol Joback Calculated Property
logPoct/wat 1.36 Crippen Calculated Property
Pc 3121.00 kPa Joback Calculated Property
Tboil 581.30 K Joback Calculated Property
Tc 822.92 K Joback Calculated Property
Tfus 404.20 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 335.42 J/mol×K 581.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 3
=CH- (ring) 1
=C< (ring) 1
>C< (ring) 1
>C=O (ring) 2
>CH- (ring) 2

Similar Compounds

(-)-Car-3-en-2-one. 4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one. 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)-. 2,6,6-Trimethyl-2-cyclohexene-1,4-dione. Car-2-en-4-one. 1,3,4,5,5,6-Hexamethylbicyclo[3.1.0]hex-3-en-2-one. Curcumenone. 3-Oxo-p-menth-1-en-7-al. Aromadendr-1(10)-en-9-one (squamulosone). 3.alpha.-5-Cyclo-ergosta-7,22-dien-6-one. (6S,7R)-Bisabolone. (6R,7R)-Bisabolone. epi-«alpha»-Bisabol-1-one. 6R,7R-Bisabolone. Bisabolone (6S,7R).

Find more compounds similar to 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione.

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