Chemical Properties of B-Ionene

B-Ionene

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

InChI
InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,9H,1,7-8,10H2,2-4H3/b9-6+
InChI Key
BWPHCNAZKLXPHW-RMKNXTFCSA-N
Formula
C13H20
SMILES
C=CC=CC1=C(C)CCCC1(C)C
Molecular Weight1
176.30
Sources

Physical Properties

Property Value Unit Source
Δf 256.30 kJ/mol Joback Calculated Property
Δfgas 35.40 kJ/mol Joback Calculated Property
Δfus 14.33 kJ/mol Joback Calculated Property
Δvap 44.71 kJ/mol Joback Calculated Property
logPoct/wat 4.26 Crippen Calculated Property
Pc 2233.41 kPa Joback Calculated Property
Tboil 526.59 K Joback Calculated Property
Tc 742.08 K Joback Calculated Property
Tfus 286.51 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 393.05 J/mol×K 526.59 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.beta.,.beta.-Carotene. Retinal, 9-cis-. Retinol. Retinal. Cyclohexene, 2-ethenyl-1,3,3-trimethyl-. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. trans-«beta»-Ionone. «beta»-Ionone isomer # 2. Retinol, acetate. Retinoic acid, methyl ester. «delta»-Selinene. «delta»-Selinene. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

Find more compounds similar to B-Ionene.

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.