Chemical Properties of 1-Butyn-3-one, 1-(6,6-dimethyl-1,2-epoxycyclohexyl)-

1-Butyn-3-one, 1-(6,6-dimethyl-1,2-epoxycyclohexyl)-

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InChI
InChI=1S/C12H16O2/c1-9(13)6-8-12-10(14-12)5-4-7-11(12,2)3/h10H,4-5,7H2,1-3H3
InChI Key
ITPNMZLJZQEEOU-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CC(=O)C#CC12OC1CCCC2(C)C
Molecular Weight1
192.25
Sources

Physical Properties

Property Value Unit Source
Δf 128.63 kJ/mol Joback Calculated Property
Δfgas -113.71 kJ/mol Joback Calculated Property
Δfus 22.18 kJ/mol Joback Calculated Property
Δvap 53.10 kJ/mol Joback Calculated Property
logPoct/wat 1.93 Crippen Calculated Property
Pc 3038.96 kPa Joback Calculated Property
Tboil 577.34 K Joback Calculated Property
Tc 821.61 K Joback Calculated Property
Tfus 483.52 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 404.63 J/mol×K 577.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 3
#C- 2
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 3

Similar Compounds

4a,7-Methano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl-. Calarenepoxide. Cyperene epoxide. Cyclocitral, 2,3-epoxy. Ethynodiol diacetate. 4-(4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)butan-2-one. diepi-«alpha»-Cedrene epoxide. Cedrene epoxide. 2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-. Di-epi-cedrenoxide. (E)-5,6-Epoxy-«beta»-ionone. trans-«BETA»-ionone-5,6-epoxide. 3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-. «beta»-ionone-5,6-epoxide (cis type). LONGIPINENE EPOXIDE.

Find more compounds similar to 1-Butyn-3-one, 1-(6,6-dimethyl-1,2-epoxycyclohexyl)-.

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