Chemical Properties of Bornyl acetate (CAS 76-49-3)

Bornyl acetate

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InChI
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m0/s1
InChI Key
KGEKLUUHTZCSIP-YZRBJQDESA-N
Formula
C12H20O2
SMILES
CC(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
196.29
CAS
76-49-3
Other Names
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-
  • Borneol, acetate
  • Bornyl acetic ether
  • 2-Camphanol acetate
  • endo-2-Camphanyl ethanoate
  • 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate
  • borneyl acetate
  • bornyl aceate
  • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
  • endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
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Physical Properties

Property Value Unit Source
Δf -100.76 kJ/mol Joback Calculated Property
Δfgas -406.57 kJ/mol Joback Calculated Property
Δfus 13.34 kJ/mol Joback Calculated Property
Δvap 48.54 kJ/mol Joback Calculated Property
log10WS -2.88 Crippen Calculated Property
logPoct/wat 2.764 Crippen Calculated Property
McVol 165.660 ml/mol McGowan Calculated Property
Pc 2462.92 kPa Joback Calculated Property
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I Outlier 1625.00 NIST
Tboil [500.80; 500.90] K Show Hide
Tboil 500.80 ± 0.50 K NIST
Tboil 500.90 ± 0.50 K NIST
Tc 774.82 K Joback Calculated Property
Tfus 368.84 K Joback Calculated Property
Vc 0.631 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [437.90; 536.18] J/mol×K [559.14; 774.82] Show Hide
Cp,gas 437.90 J/mol×K 559.14 Joback Calculated Property
Cp,gas 456.54 J/mol×K 595.09 Joback Calculated Property
Cp,gas 474.00 J/mol×K 631.03 Joback Calculated Property
Cp,gas 490.47 J/mol×K 666.98 Joback Calculated Property
Cp,gas 506.18 J/mol×K 702.93 Joback Calculated Property
Cp,gas 521.34 J/mol×K 738.88 Joback Calculated Property
Cp,gas 536.18 J/mol×K 774.82 Joback Calculated Property
ΔvapH 50.80 kJ/mol 407.50 NIST

Similar Compounds

Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester. Isobornyl 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)-. Androstan-17-ol, acetate, (5«alpha»,17«beta»)-. Isofenchyl acetate. 24-Methyllanostanol acetate. Lanostan-3-yl acetate. 4,4-Dimethylcholestanol acetate. Juniperol acetate. Isobornyl propionate. Bornyl propanoate. Copabornyl acetate. Bornyl isobutyrate. exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate.

Find more compounds similar to Bornyl acetate.

Sources

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