Chemical Properties of Bornyl isovalerate (CAS 76-50-6)

Bornyl isovalerate

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InChI
InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11?,12-,15?/m1/s1
InChI Key
MPYYVGIJHREDBO-MQYJIDSJSA-N
Formula
C15H26O2
SMILES
CC(C)CC(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
238.37
CAS
76-50-6
Other Names
  • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate, endo-
  • 2-Bornyl 3-methylbutyrate
  • Borneol, isovalerate
  • Bornyl 3-methylbutanoate
  • Bornyl ester of isopentanoic acid
  • Bornyval
  • Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
  • Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
  • Hysterol
  • Isovaleric acid, 2-bornyl ester
  • Isovaleric acid, 2-bornyl ester, endo-
  • NSC 68007
  • endo-bornyl isovalerate
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
-CH3 5
-CH2- 1
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 2
-CH2- (ring) 3

Similar Compounds

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

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