Chemical Properties of Ledol, acetate

Ledol, acetate

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InChI
InChI=1S/C17H28O2/c1-10-6-7-12-14(10)15-13(16(15,3)4)8-9-17(12,5)19-11(2)18/h10,12-15H,6-9H2,1-5H3/t10-,12+,13-,14-,15-,17-/m0/s1
InChI Key
RBKZSYFCQJXCHB-CJZKUJKOSA-N
Formula
C17H28O2
SMILES
CC(=O)OC1(C)CCC2C(C3C(C)CCC31)C2(C)C
Molecular Weight1
264.40
Sources

Physical Properties

Property Value Unit Source
Δf -25.43 kJ/mol Joback Calculated Property
Δfgas -483.81 kJ/mol Joback Calculated Property
Δfus 24.47 kJ/mol Joback Calculated Property
Δvap 59.14 kJ/mol Joback Calculated Property
logPoct/wat 4.04 Crippen Calculated Property
Pc 1727.46 kPa Joback Calculated Property
Tboil 675.21 K Joback Calculated Property
Tc 893.84 K Joback Calculated Property
Tfus 431.13 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 696.04 J/mol×K 675.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 5
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 5
-CH2- (ring) 4

Similar Compounds

9.alpha.-acetoxy-presilphiperfolane. 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-. cis-Sabinene hydrate acetate. trans-Sabinene hydrate acetate. Sabinene hydrate acetate. Caryophyllene acetate. 24(28)-Dihydrocycloeucalenol acetate. Patchoulyl acetate. 11-Acetoxyeudesma-4-.alpha.-ol. 31-Norcycloartanol acetate. 24-Methyl-31-nor-23-dehydrocycloartanol acetate. (1R,3S,4S,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-. neo-3-thujyl acetate. iso-3-Thujyl acetate. 3-Isothujyl acetate.

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