Chemical Properties of 5-hydroxy-isobornyl butyrate

5-hydroxy-isobornyl butyrate

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InChI
InChI=1S/C14H24O3/c1-5-6-12(16)17-11-7-9-10(15)8-14(11,4)13(9,2)3/h9-11,15H,5-8H2,1-4H3/t9?,10?,11-,14?/m0/s1
InChI Key
ZGBYUSKULPTYKK-DGVZPSOQSA-N
Formula
C14H24O3
SMILES
CCCC(=O)OC1CC2C(O)CC1(C)C2(C)C
Molecular Weight1
240.34
Sources

Physical Properties

Property Value Unit Source
Δf -228.45 kJ/mol Joback Calculated Property
Δfgas -620.42 kJ/mol Joback Calculated Property
Δfus 23.68 kJ/mol Joback Calculated Property
Δvap 69.36 kJ/mol Joback Calculated Property
logPoct/wat 2.52 Crippen Calculated Property
Pc 2167.36 kPa Joback Calculated Property
Tboil 692.41 K Joback Calculated Property
Tc 888.83 K Joback Calculated Property
Tfus 447.96 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 609.43 J/mol×K 692.41 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

8-Isobutyryloxy isobornyl isobutyrate. Bornyl butyrate. Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. 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-. Isobornyl propionate. Bornyl propanoate. Bornyl hexanoate. Isobornyl laureate. Isobornyl caprate. isobornyl2-methylbutanoate. Bornyl 2-methylbutanoate. Butanoic acid, 2-methyl, bornyl ester.

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