Chemical Properties of Bornyl butyrate (CAS 58479-55-3)

Bornyl butyrate

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InChI
InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,14-/m1/s1
InChI Key
VIPNQHBVIDJXJE-UHIISALHSA-N
Formula
C14H24O2
SMILES
CCCC(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
224.34
CAS
58479-55-3
Other Names
  • Isobornyl butyrate
  • Isobornyl butanoate
  • Bornyl butanoate
  • exo-bornyl butyrate
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Physical Properties

Property Value Unit Source
Δf -83.92 kJ/mol Joback Calculated Property
Δfgas -447.85 kJ/mol Joback Calculated Property
Δfus 18.52 kJ/mol Joback Calculated Property
Δvap 52.99 kJ/mol Joback Calculated Property
log10WS -3.72 Crippen Calculated Property
logPoct/wat 3.545 Crippen Calculated Property
McVol 193.840 ml/mol McGowan Calculated Property
Pc 2053.03 kPa Joback Calculated Property
Inp [1463.00; 1475.00]   Show Hide
Inp 1470.00 NIST
Inp 1463.00 NIST
Inp 1475.00 NIST
Inp 1473.00 NIST
I [1760.00; 1760.00]   Show Hide
I 1760.00 NIST
I 1760.00 NIST
Tboil 604.90 K Joback Calculated Property
Tc 813.55 K Joback Calculated Property
Tfus 391.38 K Joback Calculated Property
Vc 0.744 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [539.99; 645.60] J/mol×K [604.90; 813.55] Show Hide
Cp,gas 539.99 J/mol×K 604.90 Joback Calculated Property
Cp,gas 559.47 J/mol×K 639.68 Joback Calculated Property
Cp,gas 577.93 J/mol×K 674.45 Joback Calculated Property
Cp,gas 595.57 J/mol×K 709.23 Joback Calculated Property
Cp,gas 612.59 J/mol×K 744.00 Joback Calculated Property
Cp,gas 629.20 J/mol×K 778.78 Joback Calculated Property
Cp,gas 645.60 J/mol×K 813.55 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Bornyl butyrate.

Sources

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