Chemical Properties of (E)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl formate (CAS 352457-47-7)

(E)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl formate

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InChI
InChI=1S/C16H24O2/c1-12(10-18-11-17)14-7-8-15-6-4-5-13(2)16(15,3)9-14/h6,11,13H,4-5,7-10H2,1-3H3/b14-12+
InChI Key
SAHHFGUGGFKBSR-WYMLVPIESA-N
Formula
C16H24O2
SMILES
CC(COC=O)=C1CCC2=CCCC(C)C2(C)C1
Molecular Weight1
248.36
CAS
352457-47-7
Other Names
  • (E)-Eremophila-1(10),7(11)-dien-12-yl formate
  • Isovalencenyl formate
Sources

Physical Properties

Property Value Unit Source
Δf 4.17 kJ/mol Joback Calculated Property
Δfgas -342.62 kJ/mol Joback Calculated Property
Δfus 22.09 kJ/mol Joback Calculated Property
Δvap 61.52 kJ/mol Joback Calculated Property
logPoct/wat 4.02 Crippen Calculated Property
Pc 1998.33 kPa Joback Calculated Property
Tboil 678.02 K Joback Calculated Property
Tc 899.88 K Joback Calculated Property
Tfus 389.69 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 609.60 J/mol×K 678.02 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

E-Eremophila-1(10),7(11)-dien-12-yl methyl ether. (E)-Eremophila-1(10),7(11)-dien-12-yl acetate. (E)-Isovalencenol. Spirovetiva-3,7(11)-dien-12-yl methyl ether. Methyl (E)-eremophila-1(10),7(11)-dien-12-oate. Spirovetiva-3,7(11)-dien-12-ol. Eremophila-1(10),7(11)-diene. Labda-8,13-(E)-dien-15-ol. 1,7-Cyclogermacra-1(10),4-dien-15-ol. Kolavenol acetate. (Z)-Isovalencenal [eremophila-1(10),7(11)-dien-12-al. (Z)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanal. (E)-Eremophila 1(10),7(11)-dien-12-al. (E)-Isovalencenal [eremophila-1(10),7(11)-dien-12-al. «alpha»-Isonootkatol.

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

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