Chemical Properties of Longiborneol acetate

Longiborneol acetate

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InChI
InChI=1S/C17H28O2/c1-11(18)19-14-13-12-7-10-17(14,5)16(12,4)9-6-8-15(13,2)3/h12-14H,6-10H2,1-5H3/t12?,13-,14-,16?,17+/m1/s1
InChI Key
NVBYJWWRRWURRN-PKCNPWEKSA-N
Formula
C17H28O2
SMILES
CC(=O)OC1C2C3CCC1(C)C3(C)CCCC2(C)C
Molecular Weight1
264.40
Sources

Physical Properties

Property Value Unit Source
Δf -23.21 kJ/mol Joback Calculated Property
Δfgas -448.23 kJ/mol Joback Calculated Property
Δfus 17.10 kJ/mol Joback Calculated Property
Δvap 58.30 kJ/mol Joback Calculated Property
logPoct/wat 4.18 Crippen Calculated Property
Pc 1845.16 kPa Joback Calculated Property
Tboil 680.12 K Joback Calculated Property
Tc 906.53 K Joback Calculated Property
Tfus 459.27 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 690.49 J/mol×K 680.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
>C< (ring) 3
-CH3 5
>CH- (ring) 3
-CH2- (ring) 5

Similar Compounds

Juniperol acetate. Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-. Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl, acetate. Copabornyl acetate. Bornyl acetate. Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester. Longiborneol acetate. Isobornyl acetate. Bornyl propanoate. Isobornyl propionate. (3S,3aS,6R,7R,9aS)-6-Hydroxy-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl acetate. Bornyl butyrate. Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Androstan-17-ol, acetate, (5«alpha»,17«beta»)-. Fenchyl acetate.

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