Chemical Properties of Bornyl propanoate (CAS 78548-53-5)

Bornyl propanoate

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InChI
InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3/t9-,10+,13+/m1/s1
InChI Key
FAFMZORPAAGQFV-NRUUGDAUSA-N
Formula
C13H22O2
SMILES
CCC(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
210.31
CAS
78548-53-5
Other Names
  • Bornyl propionate
  • endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate
Sources

Physical Properties

Property Value Unit Source
Δf -92.34 kJ/mol Joback Calculated Property
Δfgas -427.21 kJ/mol Joback Calculated Property
Δfus 15.93 kJ/mol Joback Calculated Property
Δvap 50.77 kJ/mol Joback Calculated Property
logPoct/wat 3.15 Crippen Calculated Property
Pc 2244.00 kPa Joback Calculated Property
Tboil 582.02 K Joback Calculated Property
Tc 794.09 K Joback Calculated Property
Tfus 380.11 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 488.22 J/mol×K 582.02 Joback Calculated Property
ΔvapH 55.90 kJ/mol 422.5 NIST

Molecular Descriptors

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

Similar Compounds

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

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