Chemical Properties of Bornyl 2-methylbutanoate

Bornyl 2-methylbutanoate

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InChI
InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3
InChI Key
CEVCMCWHMHJEQS-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CCC(C)C(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
238.37
Sources

Physical Properties

Property Value Unit Source
Δf -77.94 kJ/mol Joback Calculated Property
Δfgas -473.77 kJ/mol Joback Calculated Property
Δfus 17.59 kJ/mol Joback Calculated Property
Δvap 54.83 kJ/mol Joback Calculated Property
logPoct/wat 3.79 Crippen Calculated Property
Pc 1898.60 kPa Joback Calculated Property
Tboil 627.34 K Joback Calculated Property
Tc 836.82 K Joback Calculated Property
Tfus 387.65 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 593.55 J/mol×K 627.34 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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