Chemical Properties of 5-Heptenal, 2,6-dimethyl- (CAS 106-72-9)

5-Heptenal, 2,6-dimethyl-

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InChI
InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
InChI Key
YGFGZTXGYTUXBA-UHFFFAOYSA-N
Formula
C9H16O
SMILES
CC(C)=CCCC(C)C=O
Molecular Weight1
140.22
CAS
106-72-9
Other Names
  • 2,6-Dimethyl hept-5-en-1-al
  • 2,6-Dimethyl-5-hepten-1-al
  • 2,6-Dimethyl-5-heptenal
  • 2,6-Dimethylhept-5-enal
  • Bergamal
  • Melonal
Sources

Physical Properties

Property Value Unit Source
Δf -5.39 kJ/mol Joback Calculated Property
Δfgas -212.52 kJ/mol Joback Calculated Property
Δfus 16.72 kJ/mol Joback Calculated Property
Δvap 42.00 kJ/mol Joback Calculated Property
logPoct/wat 2.568 Crippen Calculated Property
Pc 2648.83 kPa Joback Calculated Property
Tboil 393.20 K NIST
Tc 642.53 K Joback Calculated Property
Tfus 199.15 K Joback Calculated Property
Vc 0.531 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 282.58 J/mol×K 457.58 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Heptene, 2,6-dimethyl-. (3S)-(-)-Citronellal. Citronellal. 6-Octenal, 3,7-dimethyl-, (R)-. 9-Undecenal, 2,6,10-trimethyl-. Dihydro-apofarnesal. 2,6-dimethyl-2-heptenal. Methyloctenone. 6-Nonenal, 3,7-dimethyl-. 3,7-Dimethyl-3-octene. 5-heptenal. 1,6-Octadiene, 3,7-dimethyl-. R(-)3,7-Dimethyl-1,6-octadiene. 5-Nonenal, (E)-. 3-Cyclohexene-1-carboxaldehyde.

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