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
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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
log10WS -2.68 Crippen Calculated Property
logPoct/wat 2.286 Crippen Calculated Property
McVol 171.530 ml/mol McGowan Calculated Property
Pc 2502.50 kPa Joback Calculated Property
Inp [1343.40; 1343.40]   Show Hide
Inp 1343.40 NIST
Inp 1343.40 NIST
Tboil 590.36 K Joback Calculated Property
Tc 811.40 K Joback Calculated Property
Tfus 391.89 K Joback Calculated Property
Vc 0.644 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [472.00; 572.21] J/mol×K [590.36; 811.40] Show Hide
Cp,gas 472.00 J/mol×K 590.36 Joback Calculated Property
Cp,gas 490.68 J/mol×K 627.20 Joback Calculated Property
Cp,gas 508.27 J/mol×K 664.04 Joback Calculated Property
Cp,gas 525.00 J/mol×K 700.88 Joback Calculated Property
Cp,gas 541.09 J/mol×K 737.72 Joback Calculated Property
Cp,gas 556.75 J/mol×K 774.56 Joback Calculated Property
Cp,gas 572.21 J/mol×K 811.40 Joback Calculated Property

Similar Compounds

cis-3-acetoxy-1,8-cineole. trans-3-acetoxy-1,8-cineole. Kessanyl acetate. «alpha»-Kessyl acetate. «alpha»-Kessyl acetate. «alpha»-Kessyl isovalerate. «alpha»-Kessyl hexanoate. Kessoglycyl monoacetate. Diacetoxynorbornane. cis-2-acetoxy-1,8-cineole. exo-2-Hydroxycineole acetate. trans-2-acetoxy-1,8-cineole. 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate. exo-2-Hydroxy-1,8-cineole acetate. 2-hydroxy-Cineolacetate.

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

Sources

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