Chemical Properties of chrysanthenyl isovalerate II

chrysanthenyl isovalerate II

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InChI
InChI=1S/C15H24O2/c1-9(2)8-12(16)17-14-11-7-6-10(3)13(14)15(11,4)5/h6,9,11,13-14H,7-8H2,1-5H3/t11?,13?,14-/m0/s1
InChI Key
VCFDIPBWQNPUTA-UBHUBRDASA-N
Formula
C15H24O2
SMILES
CC1=CCC2C(OC(=O)CC(C)C)C1C2(C)C
Molecular Weight1
236.35
Sources

Physical Properties

Property Value Unit Source
Δf -52.12 kJ/mol Joback Calculated Property
Δfgas -442.70 kJ/mol Joback Calculated Property
Δfus 24.72 kJ/mol Joback Calculated Property
Δvap 56.94 kJ/mol Joback Calculated Property
logPoct/wat 3.567 Crippen Calculated Property
Pc 1859.51 kPa Joback Calculated Property
Tboil 631.24 K Joback Calculated Property
Tc 836.07 K Joback Calculated Property
Tfus 377.03 K Joback Calculated Property
Vc 0.781 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 574.62 J/mol×K 631.24 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

cis-Chrysanthenyl isovalerate. Chrysanthenyl isovalerate. trans-Chrysanthenyl isovalerate. chrysanthenyl isovalerate I. cis-Chrysanthenyl butanoate. cis-Chrysanthenyl pentanoate. cis-Chrysanthenyl propionate. Chrysanthenyl propanoate. Chrysanthenyl hexanoate. Chrysantenyl 2-methuylbutanoate. cis-Chrysanthenyl isobutyrate. cis-Chrysanthenyl acetate. Chrysanthenyl acetate. cis-Chrysanthenyl acetate. Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, [1S-(1«alpha»,5«alpha»,6«beta»)]-.

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