Chemical Properties of Hexenal, 3,5,5-trimethyl

Hexenal, 3,5,5-trimethyl

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InChI
InChI=1S/C9H16O/c1-8(5-6-10)7-9(2,3)4/h5-6H,7H2,1-4H3/b8-5+
InChI Key
AQHLCHLIIMAFAA-VMPITWQZSA-N
Formula
C9H16O
SMILES
CC(=CC=O)CC(C)(C)C
Molecular Weight1
140.22
Sources

Physical Properties

Property Value Unit Source
Δf -0.11 kJ/mol Joback Calculated Property
Δfgas -215.99 kJ/mol Joback Calculated Property
Δfus 12.83 kJ/mol Joback Calculated Property
Δvap 41.09 kJ/mol Joback Calculated Property
logPoct/wat 2.568 Crippen Calculated Property
Pc 2679.08 kPa Joback Calculated Property
Tboil 454.79 K Joback Calculated Property
Tc 647.33 K Joback Calculated Property
Tfus 216.57 K Joback Calculated Property
Vc 0.526 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 285.01 J/mol×K 454.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Hexene, 3,5,5-trimethyl-. 3-Heptene, 2,2,4,6,6-pentamethyl-. 2-Hexene, 3,5-dimethyl-. (Z)-3,5-Dimethylhex-2-ene. (E)-3,5-Dimethylhex-2-ene. Acetaldehyde, (3,3-dimethylcyclohexylidene)-, (E)-. Acetaldehyde, (3,3-dimethylcyclohexylidene)-, (Z)-. 1-Pentene, 2,4,4-trimethyl-. 4,6-dimethyl-3-heptene. 3-Hepten-2-one, 4-methyl-. 4-methylhept-3-en-2-one. 1,2,4,4-Tetramethylcyclopentene. 3,7,11,15-Tetramethyl-2-hexadecen-1-al. 2,6-Octadienal, 3,7-dimethyl-, (Z)-. 2,6-Octadienal, 3,7-dimethyl-, (E)-.

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