Chemical Properties of 1s,2r,5r-3-Pinanone (CAS 22339-21-5)

1s,2r,5r-3-Pinanone

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InChI
InChI=1S/C11H18O/c1-7-9-5-4-8(6-10(7)12)11(9,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChI Key
ABXBNWJKXXCADH-VGMNWLOBSA-N
Formula
C10H16O
SMILES
CC1C(=O)CC2CCC1C2(C)C
Molecular Weight1
152.23
CAS
22339-21-5
Sources

Physical Properties

Property Value Unit Source
Δf -4.46 kJ/mol Joback Calculated Property
Δfgas -153.00 ± 8.40 kJ/mol NIST
Δfus 11.67 kJ/mol Joback Calculated Property
Δvap 42.73 kJ/mol Joback Calculated Property
logPoct/wat 2.65 Crippen Calculated Property
Pc 2629.85 kPa Joback Calculated Property
Tboil 531.82 K Joback Calculated Property
Tc 759.17 K Joback Calculated Property
Tfus 326.21 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 373.23 J/mol×K 531.82 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

22-Ketocholest-3-one. Cedranone. 9-Cedranone. Isolongifolanone. 6,6-Dimethyl-2-methylenebicyclo[2.2.1]heptan-3-one. Bicyclo[2.2.1]heptan-2-one, 5,5,6-trimethyl-, endo-. 15-nor-Funebran-3-one. Cholestan-6-one, (5.alpha.)-. 15-nor-3-Gymnomitrone. Pregnane-3,20-dione, (5«beta»)-. 5«alpha»-Dihydroprogesterone. Paludone. 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-. trans-Isolongifolanone. Capnellane-8-one.

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