Chemical Properties of Longipinocarvone

Longipinocarvone

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InChI
InChI=1S/C15H22O/c1-9-11(16)8-10-13-12(9)15(10,4)7-5-6-14(13,2)3/h10,12-13H,1,5-8H2,2-4H3
InChI Key
MIJOZYYZCMBCHF-UHFFFAOYSA-N
Formula
C15H22O
SMILES
C=C1C(=O)CC2C3C1C2(C)CCCC3(C)C
Molecular Weight1
218.33
Sources

Physical Properties

Property Value Unit Source
Δf 137.56 kJ/mol Joback Calculated Property
Δfgas -210.51 kJ/mol Joback Calculated Property
Δfus 12.71 kJ/mol Joback Calculated Property
Δvap 50.55 kJ/mol Joback Calculated Property
logPoct/wat 3.59 Crippen Calculated Property
Pc 2183.60 kPa Joback Calculated Property
Tboil 629.48 K Joback Calculated Property
Tc 866.95 K Joback Calculated Property
Tfus 426.81 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 541.93 J/mol×K 629.48 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 3
=CH2 1
=C< (ring) 1
>C< (ring) 2
>C=O (ring) 1
>CH- (ring) 3
-CH2- (ring) 4

Similar Compounds

(1S,5R,6S,7R,10R)-Lemnalone. Pinocarvone. Pinocarvone. (-)-Gymnomitr-3(15)-en-4-one. Caryophylla-3(15),7(14)-dien-6-one. Caryophylla-2(12),6(13)-dien-5-one. Caryophylla-2(12),6(13)-diene-5-one. caryophylla-4(12),8(13)-dien-5-one. 15-nor-Prezizaan-7-one. 1,1,3a-Trimethyl-6-methylene-5-oxo-1,1a,2,3,3a,3b,4,-5,6,6b-decahydrocyclopenta[2,3]cyclopropa[1,2-a]cyclopropa[c]benzene. «beta»-Longipinene. 4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecan-5-one. 4-Desmethyl caryophylla-8(14)-en-5-one. 4-Desmethyl caryophyl-8(14)-en-5-one. 8-Ketocopaenal.

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