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
  • Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
  • Bornyval
  • Hysterol
  • Isovaleric acid, 2-bornyl ester, endo-
  • 2-Bornyl 3-methylbutyrate
  • Bornyl ester of isopentanoic acid
  • Borneol, isovalerate
  • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate, endo-
  • Bornyl 3-methylbutanoate
  • Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
  • Isovaleric acid, 2-bornyl ester
  • NSC 68007
  • endo-bornyl isovalerate
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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
log10WS -3.90 Crippen Calculated Property
logPoct/wat 3.790 Crippen Calculated Property
McVol 207.930 ml/mol McGowan Calculated Property
Pc 1898.60 kPa Joback Calculated Property
Inp [1468.00; 1516.00]   Show Hide
Inp 1488.00 NIST
Inp Outlier 1468.00 NIST
Inp 1501.00 NIST
Inp 1500.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1516.00 NIST
Inp 1512.00 NIST
Inp 1488.00 NIST
I [1753.00; 1774.00]   Show Hide
I 1753.00 NIST
I 1759.00 NIST
I 1774.00 NIST
I 1774.00 NIST
Tboil 627.34 K Joback Calculated Property
Tc 836.82 K Joback Calculated Property
Tfus 387.65 K Joback Calculated Property
Vc 0.793 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [593.55; 704.76] J/mol×K [627.34; 836.82] Show Hide
Cp,gas 593.55 J/mol×K 627.34 Joback Calculated Property
Cp,gas 613.85 J/mol×K 662.25 Joback Calculated Property
Cp,gas 633.16 J/mol×K 697.17 Joback Calculated Property
Cp,gas 651.71 J/mol×K 732.08 Joback Calculated Property
Cp,gas 669.68 J/mol×K 766.99 Joback Calculated Property
Cp,gas 687.30 J/mol×K 801.90 Joback Calculated Property
Cp,gas 704.76 J/mol×K 836.82 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Bornyl isovalerate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.