Chemical Properties of «alpha»-Kessyl acetate (CAS 17806-59-6)

«alpha»-Kessyl acetate

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InChI
InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3
InChI Key
CGBOQYJQRLRGIE-UHFFFAOYSA-N
Formula
C17H28O3
SMILES
CC(=O)OC1CC2(C)OC(C)(C)C1CC1C(C)CCC12
Molecular Weight1
280.40
CAS
17806-59-6
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Physical Properties

Property Value Unit Source
Δf -123.65 kJ/mol Joback Calculated Property
Δfgas -621.97 kJ/mol Joback Calculated Property
Δfus 30.35 kJ/mol Joback Calculated Property
Δvap 63.82 kJ/mol Joback Calculated Property
log10WS -3.94 Crippen Calculated Property
logPoct/wat 3.558 Crippen Calculated Property
McVol 231.120 ml/mol McGowan Calculated Property
Pc 1750.67 kPa Joback Calculated Property
Inp [1743.90; 1878.00]   Show Hide
Inp 1878.00 NIST
Inp 1743.90 NIST
Inp 1772.00 NIST
Inp 1772.00 NIST
Inp 1772.00 NIST
Tboil 706.43 K Joback Calculated Property
Tc 929.31 K Joback Calculated Property
Tfus 454.18 K Joback Calculated Property
Vc 0.872 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [735.75; 867.29] J/mol×K [706.43; 929.31] Show Hide
Cp,gas 735.75 J/mol×K 706.43 Joback Calculated Property
Cp,gas 759.02 J/mol×K 743.58 Joback Calculated Property
Cp,gas 781.42 J/mol×K 780.72 Joback Calculated Property
Cp,gas 803.20 J/mol×K 817.87 Joback Calculated Property
Cp,gas 824.60 J/mol×K 855.02 Joback Calculated Property
Cp,gas 845.88 J/mol×K 892.17 Joback Calculated Property
Cp,gas 867.29 J/mol×K 929.31 Joback Calculated Property

Similar Compounds

Kessanyl acetate. «alpha»-Kessyl acetate. (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate. cis-3-acetoxy-1,8-cineole. trans-3-acetoxy-1,8-cineole. «alpha»-Kessyl isovalerate. «alpha»-Kessyl hexanoate. Kessoglycyl monoacetate. Diacetoxynorbornane. 2-hydroxy-Cineolacetate. cis-2-acetoxy-1,8-cineole. 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate. exo-2-Hydroxycineole acetate. exo-2-Hydroxy-1,8-cineole acetate. trans-2-acetoxy-1,8-cineole.

Find more compounds similar to «alpha»-Kessyl acetate.

Sources

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