Chemical Properties of iso-Longifolol acetate (CAS 18367-70-9)

iso-Longifolol acetate

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InChI
InChI=1S/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3/t12-,13?,14?,15?,17+/m0/s1
InChI Key
FWCPQBUXTSVEIC-MZLGRULDSA-N
Formula
C17H28O2
SMILES
CC(=O)OCC1C2CCC3C2C(C)(C)CCCC13C
Molecular Weight1
264.40
CAS
18367-70-9
Other Names
  • [1S-(1«alpha»,3a«beta»,4«alpha»,8a«beta»,9S*)]-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -17.72 kJ/mol Joback Calculated Property
Δfgas -463.47 kJ/mol Joback Calculated Property
Δfus 23.39 kJ/mol Joback Calculated Property
Δvap 59.45 kJ/mol Joback Calculated Property
logPoct/wat 4.04 Crippen Calculated Property
Pc 1775.84 kPa Joback Calculated Property
Tboil 679.88 K Joback Calculated Property
Tc 898.50 K Joback Calculated Property
Tfus 435.37 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 694.39 J/mol×K 679.88 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
-CH2- 1
>C< (ring) 2
-CH3 4
>CH- (ring) 4
-CH2- (ring) 5

Similar Compounds

(-)-Isolongifolol, acetate. 8-Hydroxyisobornyl isobutyrate. cis-Myrtanyl acetate. trans-Myrtanyl acetate. (-)-trans-Myrtanyl acatate. Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, acetate. amboryl (acetoxymethyl-isolongifolene) acetate. (-)-Isolongifolol, methyl ether. 5«alpha»-Cholestan-3«alpha»-ol, 4«alpha»-methyl-, acetate. Fragranyl acetate. Epiflriedelinol (5B-methyl-friedelanol) acetate. Friedelinol (5B-methyl-friedelan-3A-ol) acetate. 2-Oxacholest-3-one. 4,4-Dimethylcholestanol acetate. Longiborneol acetate.

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