Chemical Properties of Fragranyl isovaalerate (CAS 51193-03-4)

Fragranyl isovaalerate

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InChI
InChI=1S/C15H26O2/c1-11(2)10-14(16)17-9-8-15(5)7-6-13(15)12(3)4/h11,13H,3,6-10H2,1-2,4-5H3
InChI Key
YERQGDXMKGZPCZ-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
C=C(C)C1CCC1(C)CCOC(=O)CC(C)C
Molecular Weight1
238.37
CAS
51193-03-4
Sources

Physical Properties

Property Value Unit Source
Δf -46.20 kJ/mol Joback Calculated Property
Δfgas -425.83 kJ/mol Joback Calculated Property
Δfus 22.09 kJ/mol Joback Calculated Property
Δvap 55.79 kJ/mol Joback Calculated Property
logPoct/wat 3.96 Crippen Calculated Property
Pc 1750.67 kPa Joback Calculated Property
Tboil 621.59 K Joback Calculated Property
Tc 818.12 K Joback Calculated Property
Tfus 334.33 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 586.12 J/mol×K 621.59 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
=C< 1
=CH2 1
-CH2- 3
-CH3 4
>C< (ring) 1
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

Fragranyl propanoate. Fragranyl isobutyrate. Fragranyl acetate. Fragranyl 2-methylbutyrate. 3-isopropenyl-2,2-dimethylcyclobutanemethyl acetate. (1R,3R)-3-isopropenyl-2,2-dimethylcyclobutylmethyl 3-methyl-3-butenoate. 2-(2,2-dimethyl-6-methylenecyclohexyl)-ethyl acetate. Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, trans-. Grandisol. (S)-Ethyl 3-methyl-5-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoate. Ziza-6(13)-en-12-yl acetate. 14-Acetoxy-4,5-dihydro- «beta»-caryophyllene. Fragranyl acetate. 9-Isopropenyl-7,7,8-trimethyl-4-oxatricyclo[6.1.0]nonane. .gamma.-Campholenyl formate.

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