Chemical Properties of cis-Myrtanyl acetate

cis-Myrtanyl acetate

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InChI
InChI=1S/C12H20O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h9-11H,4-7H2,1-3H3/t9-,10-,11-/m0/s1
InChI Key
UWHRPSXEBAXLDR-DCAQKATOSA-N
Formula
C12H20O2
SMILES
CC(=O)OCC1CCC2CC1C2(C)C
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf -95.27 kJ/mol Joback Calculated Property
Δfgas -421.81 kJ/mol Joback Calculated Property
Δfus 19.64 kJ/mol Joback Calculated Property
Δvap 49.69 kJ/mol Joback Calculated Property
logPoct/wat 2.62 Crippen Calculated Property
Pc 2356.49 kPa Joback Calculated Property
Tboil 558.90 K Joback Calculated Property
Tc 766.28 K Joback Calculated Property
Tfus 344.94 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 438.95 J/mol×K 558.9 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, acetate. trans-Myrtanyl acetate. (-)-trans-Myrtanyl acatate. iso-Longifolol acetate. (-)-Isolongifolol, acetate. exo-Pinocampheol, acetate. Isopinocampheyl acetate. Pinocampheyl acetate. endo-Pinocampheol, acetate. Fragranyl acetate. 8-Hydroxyisobornyl isobutyrate. amboryl (acetoxymethyl-isolongifolene) acetate. Isoverbanol acetate. Isoverbanyl acetate. Neoverbanyl acetate.

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