Chemical Properties of Methyl-.gamma.-costate

Methyl-.gamma.-costate

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InChI
InChI=1S/C16H24O2/c1-11-6-5-8-16(3)9-7-13(10-14(11)16)12(2)15(17)18-4/h13-14H,1-2,5-10H2,3-4H3/t13-,14+,16-/m0/s1
InChI Key
WQPKMCCPWWJBMZ-LZWOXQAQSA-N
Formula
C16H24O2
SMILES
C=C(C(=O)OC)C1CCC2(C)CCCC(=C)C2C1
Molecular Weight1
248.36
Sources

Physical Properties

Property Value Unit Source
Δf 42.19 kJ/mol Joback Calculated Property
Δfgas -302.63 kJ/mol Joback Calculated Property
Δfus 18.88 kJ/mol Joback Calculated Property
Δvap 58.99 kJ/mol Joback Calculated Property
logPoct/wat 3.88 Crippen Calculated Property
Pc 1940.65 kPa Joback Calculated Property
Tboil 663.62 K Joback Calculated Property
Tc 887.19 K Joback Calculated Property
Tfus 381.66 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 610.40 J/mol×K 663.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
=CH2 2
=C< (ring) 1
=C< 1
>C< (ring) 1
>C=O (nonring) 1
>CH- (ring) 2
-CH2- (ring) 6

Similar Compounds

Methyl elema-1,4(15),11(13)-trien-12-oate. Costic acid. Methyl eremophila-1(10),11(13)-dien-12-oate. (S)-Ethyl 3-methyl-5-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoate. Ilicic acid, methyl ester. (S)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoic acid. 2-((2R,4aR,8aS)-4a-Methyl-8-methylenedecahydronaphthalen-2-yl)acrylaldehyde. «beta»-Costol. (+)-«beta»-Costol. Methyl-Labd-8(17)-enoate. Methyl-«beta»-costate. trans-Methylisocosticate. cis-Methylisocosticate. Ent- agathic acid methyl ester. Methyl-.gamma.-Cyclogeranate.

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