Chemical Properties of (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate (CAS 81781-24-0)

(1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate

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InChI
InChI=1S/C12H20O3/c1-8(13)14-10-7-12(4)6-5-9(10)11(2,3)15-12/h9-10H,5-7H2,1-4H3
InChI Key
LUYHJKNQBUWCNY-UHFFFAOYSA-N
Formula
C12H20O3
SMILES
CC(=O)OC1CC2(C)CCC1C(C)(C)O2
Molecular Weight1
212.29
CAS
81781-24-0
Sources

Physical Properties

Property Value Unit Source
Δf -198.98 kJ/mol Joback Calculated Property
Δfgas -544.73 kJ/mol Joback Calculated Property
Δfus 19.22 kJ/mol Joback Calculated Property
Δvap 53.22 kJ/mol Joback Calculated Property
logPoct/wat 2.29 Crippen Calculated Property
Pc 2502.50 kPa Joback Calculated Property
Tboil 590.36 K Joback Calculated Property
Tc 811.40 K Joback Calculated Property
Tfus 391.89 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 472.00 J/mol×K 590.36 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

cis-3-acetoxy-1,8-cineole. trans-3-acetoxy-1,8-cineole. Kessanyl acetate. «alpha»-Kessyl acetate. Kessoglycyl monoacetate. «alpha»-Kessyl acetate. .alpha.-Kessyl isovalerate. .alpha.-Kessyl hexanoate. 3«alpha»-hydroxy-1,8-cineole. 3-hydroxy-1,8-cineole. cis-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-ol. (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-ol. Kessyl alcohol. Diacetoxynorbornane. 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, triisobutyrate.

Find more compounds similar to (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate.

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