Chemical Properties of 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS 141-27-5)

2,6-Octadienal, 3,7-dimethyl-, (E)-

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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/b10-7+
InChI Key
WTEVQBCEXWBHNA-JXMROGBWSA-N
Formula
C10H16O
SMILES
CC(C)=CCCC(C)=CC=O
Molecular Weight1
152.23
CAS
141-27-5
Other Names
  • (E)-3,7-Dimethyl-2,6-octadienal
  • (E)-3,7-Dimethylocta-2,6-dienal
  • (E)-Citral
  • (E)-Geranial
  • (E)-Neral
  • 2,6-Octadienal, 3,7-dimethyl-, (2E)-
  • Citral a
  • Citral «alpha»
  • E-Citral (geranial)
  • Geranaldehyde
  • Geranial
  • geranial («alpha»-Citral)
  • trans-3,7-Dimethyl-2,6-octadienal
  • trans-3,7-dimethyl-2,6-octadienal (geranial)
  • trans-3,7-dimethyl-octa-2,6-dienal
  • trans-Citral
  • «alpha»-Citral
  • «beta»-Geranial
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 62.50 kJ/mol NIST
Δvap 61.00 kJ/mol NIST
logPoct/wat 2.88 Crippen Calculated Property
Pc 2525.19 kPa Joback Calculated Property
Tboil 502.20 K NIST
Tboil 391.70 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
ΔvapH 54.90 kJ/mol 437.0 NIST

Molecular Descriptors

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

Similar Compounds

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