Chemical Properties of Bornyl hexanoate

Bornyl hexanoate

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InChI
InChI=1S/C16H28O2/c1-5-6-7-8-14(17)18-13-11-12-9-10-16(13,4)15(12,2)3/h12-13H,5-11H2,1-4H3/t12?,13-,16?/m0/s1
InChI Key
FVTTUTDGUCSLMA-UYJPIKCFSA-N
Formula
C16H28O2
SMILES
CCCCCC(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
252.39
Sources

Physical Properties

Property Value Unit Source
Δf -67.08 kJ/mol Joback Calculated Property
Δfgas -489.13 kJ/mol Joback Calculated Property
Δfus 23.70 kJ/mol Joback Calculated Property
Δvap 57.44 kJ/mol Joback Calculated Property
logPoct/wat 4.32 Crippen Calculated Property
Pc 1737.56 kPa Joback Calculated Property
Tboil 650.66 K Joback Calculated Property
Tc 853.25 K Joback Calculated Property
Tfus 413.92 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 647.70 J/mol×K 650.66 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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