Chemical Properties of trans-2-acetoxy-1,8-cineole

trans-2-acetoxy-1,8-cineole

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InChI
InChI=1S/C12H20O3/c1-8(13)14-10-7-9-5-6-12(10,4)15-11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12-/m0/s1
InChI Key
XRKZFZWIYZDOQO-UMNHJUIQSA-N
Formula
C12H20O3
SMILES
CC(=O)OC1CC2CCC1(C)OC2(C)C
Molecular Weight1
212.29
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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
I [1737.00; 1737.00]   Show Hide
I 1737.00 NIST
I 1737.00 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

exo-2-Hydroxycineole acetate. 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate. cis-2-acetoxy-1,8-cineole. exo-2-Hydroxy-1,8-cineole acetate. 2-hydroxy-Cineolacetate. 3«beta»-acetoxy manoyl oxide. Cryptofauronyl acetate. Cholan-24-oic acid, 3,6,7-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»,7«alpha»)-. «omega»-Muricholic acid, acetate-methyl ester. «alpha»-Muricholic acid, acetate-methyl ester. «beta»-muricholic acid, acetate-methyl ester. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«beta»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,6«beta»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, acetate-methyl ester.

Find more compounds similar to trans-2-acetoxy-1,8-cineole.

Sources

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