Chemical Properties of Bisabol-1-one

Bisabol-1-one

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C15H28O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h11-14H,5-10H2,1-4H3
InChI Key
KCRFTEABMBVXDT-UHFFFAOYSA-N
Formula
C15H28O
SMILES
CC(C)CCCC(C)C1CCC(C)CC1=O
Molecular Weight1
224.38
Sources

Physical Properties

Property Value Unit Source
Δf -35.31 kJ/mol Joback Calculated Property
Δfgas -467.21 kJ/mol Joback Calculated Property
Δfus 19.98 kJ/mol Joback Calculated Property
Δvap 52.58 kJ/mol Joback Calculated Property
logPoct/wat 4.45 Crippen Calculated Property
Pc 1686.56 kPa Joback Calculated Property
Tboil 624.42 K Joback Calculated Property
Tc 829.91 K Joback Calculated Property
Tfus 300.17 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 599.08 J/mol×K 624.42 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclohexanone, 5-methyl-2-(1-methylethyl)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-. 2-ethyl isomenthone. 1(2H)-Naphthalenone, octahydro-, trans-. Cyclohexanone, 2-ethyl-3-methyl-, trans-. 1-Decalone (cis-trans). 2-hexylcyclohexan-1-one. [1,1'-Bicyclohexyl]-2-one. Cyclohexanebutanal, 2-methyl-3-oxo-, cis-. cis-2-Methyl-3-ethylcyclohexanone. Cyclohexanone, 2-(1-methylethyl)-. Hexahydrogermacrone-a.

Find more compounds similar to Bisabol-1-one.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.