Chemical Properties of Pinonaldehyde (CAS 2704-78-1)

Pinonaldehyde

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InChI
InChI=1S/C10H16O2/c1-7(12)9-6-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3
InChI Key
GCHDWVBHKDJOKU-UHFFFAOYSA-N
Formula
C10H16O2
SMILES
CC(=O)C1CC(CC=O)C1(C)C
Molecular Weight1
168.23
CAS
2704-78-1
Other Names
  • 3-Acetyl-2,2-dimethylcyclobutaneacetaldehyde (pinonaldehyde)
Sources

Physical Properties

Property Value Unit Source
Δf -167.38 kJ/mol Joback Calculated Property
Δfgas -406.69 kJ/mol Joback Calculated Property
Δfus 17.42 kJ/mol Joback Calculated Property
Δvap 49.64 kJ/mol Joback Calculated Property
logPoct/wat 1.83 Crippen Calculated Property
Pc 2749.78 kPa Joback Calculated Property
Tboil 532.64 K Joback Calculated Property
Tc 737.03 K Joback Calculated Property
Tfus 324.23 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 353.49 J/mol×K 532.64 Joback Calculated Property
ΔvapH 75.50 ± 5.60 kJ/mol 295.5 NIST

Molecular Descriptors

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

Similar Compounds

Norinone. Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-. Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-, (1R)-. Bicyclo[3.1.1]heptan-2-one, 3,6,6-trimethyl-. Dihydroverbenone. cis-DL-Pinonic acid. Pinonic acid. Pinonic acid. Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-. [1S-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one. S-pinocamphone. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«beta»,5«alpha»)-. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1«alpha»,2«alpha»,5«alpha»)-. Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-. cis-Pinocamphone.

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