Chemical Properties of 2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 3155-71-3)

2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

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

InChI
InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+
InChI Key
FJCQUJKUMKZEMH-YRNVUSSQSA-N
Formula
C14H22O
SMILES
CC(C=O)=CCC1=C(C)CCCC1(C)C
Molecular Weight1
206.32
CAS
3155-71-3
Other Names
  • 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
  • Boronia butenal
Sources

Physical Properties

Property Value Unit Source
Δf 68.81 kJ/mol Joback Calculated Property
Δfgas -206.04 kJ/mol Joback Calculated Property
Δfus 19.18 kJ/mol Joback Calculated Property
Δvap 54.41 kJ/mol Joback Calculated Property
logPoct/wat 4.05 Crippen Calculated Property
Pc 2113.89 kPa Joback Calculated Property
Tboil 601.33 K Joback Calculated Property
Tc 815.54 K Joback Calculated Property
Tfus 327.58 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 487.74 J/mol×K 601.33 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

selin-4,7(11)-diene. Selina-4,7-diene. Cis Megastigma-5,8-diene-4-one. Abieta-8,12-diene. Dihydro-.beta.-ionene. 5-Octen-2-one, 6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. trans-«beta»-Damascone. ent-selina-1,4-diene. selina-1,4-diene. Bicyclo[4.4.0]-1,4-decadiene, 4,10-dimethyl-7-isopropyl. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-ACETALDEHYDE. (-)-selina-4,11-diene. «delta»-Selinene.

Find more compounds similar to 2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

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.