Chemical Properties of bornyl benzoate

bornyl benzoate

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InChI
InChI=1S/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+,17+/m1/s1
InChI Key
FLOISDYCXINJOB-KEYYUXOJSA-N
Formula
C17H22O2
SMILES
CC1(C)C2CCC1(C)C(OC(=O)c1ccccc1)C2
Molecular Weight1
258.36
Sources

Physical Properties

Property Value Unit Source
Δf 53.75 kJ/mol Joback Calculated Property
Δfgas -273.24 kJ/mol Joback Calculated Property
Δfus 20.33 kJ/mol Joback Calculated Property
Δvap 61.95 kJ/mol Joback Calculated Property
logPoct/wat 4.06 Crippen Calculated Property
Pc 2135.43 kPa Joback Calculated Property
Tboil 700.22 K Joback Calculated Property
Tc 939.44 K Joback Calculated Property
Tfus 451.61 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 624.43 J/mol×K 700.22 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(1R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-chlorobenzoate. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, benzoate, [1R-(1«alpha»,2«beta»,5«alpha»)]-. p-Toluic acid, 2-adamantyl ester. 4-Ethylbenzoic acid, 2-adamantyl ester. m-Toluic acid, 2-adamantyl ester. 4-Cyanobenzoic acid, 2-adamantyl ester. 4-Butylbenzoic acid, 2-adamantyl ester. Isophthalic acid, 2-adamantyl ethyl ester. P-anisic acid, 2-adamantyl ester. p-Toluic acid, 1-adamantylmethyl ester. Menthyl salicylate. o-Toluic acid, 2-adamantyl ester. Isophthalic acid, 3,4-dimethylcyclohexyl isobutyl ester. 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dinitrobenzoate. Isophthalic acid, isobutyl 4-tert-butylcyclohexyl ester.

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