Chemical Properties of Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo- (CAS 7549-41-9)

Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-

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InChI
InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3
InChI Key
ILUAVCBOWYHFAI-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CCCCC(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
238.37
CAS
7549-41-9
Other Names
  • Bornyl ester of n-pentanoic acid
  • Bornyl pentanoate
  • Bornyl valerate
  • Valeric acid, 2-bornyl ester, endo-
  • endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate
  • «alpha»-Terpinyl ester of n-pentanoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -75.50 kJ/mol Joback Calculated Property
Δfgas -468.49 kJ/mol Joback Calculated Property
Δfus 21.11 kJ/mol Joback Calculated Property
Δvap 55.22 kJ/mol Joback Calculated Property
logPoct/wat 3.93 Crippen Calculated Property
Pc 1885.44 kPa Joback Calculated Property
Tboil 627.78 K Joback Calculated Property
Tc 833.26 K Joback Calculated Property
Tfus 402.65 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 593.16 J/mol×K 627.78 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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