Chemical Properties of Isoverbenyl acetate

Isoverbenyl acetate

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InChI
InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11-/m0/s1
InChI Key
OZBFUQLOVFXDNK-AXFHLTTASA-N
Formula
C12H18O2
SMILES
CC(=O)OC1C=C(C)C2CC1C2(C)C
Molecular Weight1
194.27
Sources

Physical Properties

Property Value Unit Source
Δf -74.94 kJ/mol Joback Calculated Property
Δfgas -375.50 kJ/mol Joback Calculated Property
Δfus 20.47 kJ/mol Joback Calculated Property
Δvap 50.64 kJ/mol Joback Calculated Property
logPoct/wat 2.54 Crippen Calculated Property
Pc 2405.28 kPa Joback Calculated Property
Tboil 563.04 K Joback Calculated Property
Tc 773.40 K Joback Calculated Property
Tfus 358.22 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.92 J/mol×K 563.04 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate. trans-Verbenyl acetate. cis-Verbenyl acetate. neo-iso-Verbenol acetate. trans-Verbenyl isovalerate. trans-Verbenyl laureate. trans-Verbenyl caprate. (1R,4S,5R)-4-Ethoxy-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene. Verbenyl angelate, cis-. Verbenyl propyl ether. 3Beta,17beta-diacetoxyandrost-5-ene. cis-Piperitol, acetate. trans-piperitol acetate. 6-(isopropyl)-3-methylcyclohex-2-en-1-yl acetate. 4-Thujen-2-«alpha»-yl acetate.

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