Chemical Properties of 2,6-Octadienal, 3,7-dimethyl- (CAS 5392-40-5)

2,6-Octadienal, 3,7-dimethyl-

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InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
InChI Key
WTEVQBCEXWBHNA-UHFFFAOYSA-N
Formula
C10H16O
SMILES
CC(C)=CCCC(C)=CC=O
Molecular Weight1
152.23
CAS
5392-40-5
Other Names
  • (2E)-3,7-Dimethyl-2,6-octadienal
  • 3,7-Dimethyl-1,2,6-octadienal
  • 3,7-Dimethyl-2,6-octadien-1-al
  • 3,7-Dimethyl-2,6-octadienal
  • 3,7-Dimethyl-2,6-octadiene-1-al
  • Citral
  • Citral (cis and trans)
  • Citral acis-3,7-dimethyl-2,6-octadienal
  • Citral,c&t
  • Lemarome n
  • Lemsyn GB
  • NCI-C56348
  • NSC 6170
  • Neral
  • Z-3,7-Dimethyl-2,6-octadiene-1-al
  • cis,trans-Citral
  • cis-Citral
Sources

Physical Properties

Property Value Unit Source
Δf 77.14 kJ/mol Joback Calculated Property
Δfgas -120.45 kJ/mol Joback Calculated Property
Δfus 21.73 kJ/mol Joback Calculated Property
Δvap 55.90 kJ/mol NIST
logPoct/wat 2.88 Crippen Calculated Property
Pc 2525.19 kPa Joback Calculated Property
Tboil 502.20 K NIST
Tc 675.98 K Joback Calculated Property
Tfus 206.38 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 309.04 J/mol×K 484.94 Joback Calculated Property
Cp,liquid 304.50 J/mol×K 293.0 NIST

Molecular Descriptors

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

Similar Compounds

2,6-Octadienal, 3,7-dimethyl-, (E)-. 2,6-Octadienal, 3,7-dimethyl-, (Z)-. (E,Z)-Farnesal. 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (Z,E)-. 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-. (E,Z)-2,6-Farnesal. 3,7-NONADIEN-2-ONE, 4,8-DIMETHYL-. 3,7,11-trimethyl-6E,10-dodecadienal (dihydrofarnesal). .beta.-Sinensal. 2,6-Dimethyl-2-trans-6-octadiene. cis-2,6-Dimethyl-2,6-octadiene. 2,6-Octadiene, 2,6-dimethyl-. 1,5-Cyclooctadiene, 1,5-dimethyl-. 10-Demethylsqualene. Supraene.

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