Chemical Properties of exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate (CAS 85586-67-0)

exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate

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InChI
InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m0/s1
InChI Key
KRKIAJBQOUBNSE-COPLHBTASA-N
Formula
C14H24O2
SMILES
CC(C)C(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
224.34
CAS
85586-67-0
Other Names
  • (1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl isobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -86.36 kJ/mol Joback Calculated Property
Δfgas -453.13 kJ/mol Joback Calculated Property
Δfus 15.00 kJ/mol Joback Calculated Property
Δvap 52.60 kJ/mol Joback Calculated Property
logPoct/wat 3.40 Crippen Calculated Property
Pc 2068.00 kPa Joback Calculated Property
Tboil 604.46 K Joback Calculated Property
Tc 817.37 K Joback Calculated Property
Tfus 376.38 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 540.35 J/mol×K 604.46 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Bornyl isobutyrate. 6-hydroxy-Isobornyl Isobutyrate. Isobornyl propionate. Bornyl propanoate. isobornyl2-methylbutanoate. Bornyl 2-methylbutanoate. Butanoic acid, 2-methyl, bornyl ester. Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Bornyl butyrate. Bornyl isovalerate. Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-. Isobornyl isovalerate. Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Bornyl hexanoate. Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl, acetate.

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