Chemical Properties of Oxiranecarboxaldehyde, 3-methyl-3-(4-methyl-3-pentenyl)- (CAS 16996-12-6)

Oxiranecarboxaldehyde, 3-methyl-3-(4-methyl-3-pentenyl)-

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InChI
InChI=1S/C10H16O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,7,9H,4,6H2,1-3H3
InChI Key
KXDDDNKGVUBFQS-UHFFFAOYSA-N
Formula
C10H16O2
SMILES
CC(C)=CCCC1(C)OC1C=O
Molecular Weight1
168.23
CAS
16996-12-6
Other Names
  • 3-Methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carbaldehyde
Sources

Physical Properties

Property Value Unit Source
Δf -33.10 kJ/mol Joback Calculated Property
Δfgas -292.18 kJ/mol Joback Calculated Property
Δfus 23.72 kJ/mol Joback Calculated Property
Δvap 47.58 kJ/mol Joback Calculated Property
logPoct/wat 2.09 Crippen Calculated Property
Pc 2729.71 kPa Joback Calculated Property
Tboil 510.16 K Joback Calculated Property
Tc 710.14 K Joback Calculated Property
Tfus 289.59 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 343.52 J/mol×K 510.16 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,3-Epoxy-geranial. Cedroxyde. 4,5-Epoxyterpinolene. Humulene oxide. Humulene epoxide. Humulene epoxide. Epoxyhumulene II. Humulene epoxide II. Piperitenone oxide. trans-Piperitenone oxide. Oxirane, 2,2-dimethyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)-. Epoxyneral. Epoxygeranial. «alpha»-Bisabolene oxide. Bisabolene oxide A.

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