Chemical Properties of (Z)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanal (CAS 137695-20-6)

(Z)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanal

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InChI
InChI=1S/C15H22O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,10,12H,4-5,7-9H2,1-3H3/b13-11-
InChI Key
SVFQWLHYXVFRHQ-QBFSEMIESA-N
Formula
C15H22O
SMILES
CC(C=O)=C1CCC2=CCCC(C)C2(C)C1
Molecular Weight1
218.33
CAS
137695-20-6
Other Names
  • (Z)-Isovalencenal
  • Propanal, 2-(3,4,6,7,8,8a-hexahydro-8,8a-dimethyl-2(1H)-naphthalenylidene)-, [8R-(2Z,8«alpha»,8a«alpha»)]-
  • Propanal, 2-[(8R,8aS)-3,4,6,7,8,8a-hexahydro-8,8a-dimethyl-2(1H)-naphthalenylidene]-, (2Z)-
Sources

Physical Properties

Property Value Unit Source
Δf 100.75 kJ/mol Joback Calculated Property
Δfgas -189.76 kJ/mol Joback Calculated Property
Δfus 18.31 kJ/mol Joback Calculated Property
Δvap 56.89 kJ/mol Joback Calculated Property
logPoct/wat 4.048 Crippen Calculated Property
Pc 2216.62 kPa Joback Calculated Property
Tboil 632.72 K Joback Calculated Property
Tc 861.77 K Joback Calculated Property
Tfus 356.19 K Joback Calculated Property
Vc 0.743 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 527.12 J/mol×K 632.72 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< 1
=CH- (ring) 1
=C< (ring) 2
O=CH- (aldehyde) 1
>C< (ring) 1
-CH3 3
>CH- (ring) 1
-CH2- (ring) 5

Similar Compounds

(Z)-Isovalencenal [eremophila-1(10),7(11)-dien-12-al. (E)-Eremophila 1(10),7(11)-dien-12-al. (E)-Isovalencenal [eremophila-1(10),7(11)-dien-12-al. Spirovetiva-3,7(11)-dien-12-al. Eremophila-1(10),7(11)-diene. Selina-3,7(11)-diene. Selina-4,11-dien-14-al. Selina-4,11-dien-14-al. Pseudowiddrene. .alpha.-Vetivone. 1,7-Cyclogermacra-1(10),4-dien-15-al. 8a-Isopropyl-3-methyl-1,2,4,5,8,8a-hexahydroazulene-6-carbaldehyde. ent-Pimara-8,15-diene. Phenanthrene, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-. Isopimara-8,15-diene.

Find more compounds similar to (Z)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanal.

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