Chemical Properties of Caryophyllene oxide (CAS 1139-30-6)

Caryophyllene oxide

InChI
InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
InChI Key
NVEQFIOZRFFVFW-SFDCQRBFSA-N
Formula
C15H24O
SMILES
C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C
Molecular Weight1
220.36
CAS
1139-30-6
Other Names
  • 5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-
  • 5-Oxatricyclo(8.2.0.0(4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-
  • Caryophylene oxide
  • Caryophyllene epoxide
  • (-)-«beta»-Caryophyllene epoxide
  • «beta»-Caryophyllene oxide
  • Epoxycaryophyllene
  • (-)-Epoxydihydrocaryophyllene
  • 4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-
  • (-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-
  • «beta»-Caryophyllene epoxide
  • (-)-«beta»-Caryophyllene oxide
  • Caryophyllene oxyde
  • 4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.]dodecane (caryophyllene oxide)
  • [1R-(1R*,4R*,6R*,10S*)]-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
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Physical Properties

Property Value Unit Source
ΔfusH° 19.08 kJ/mol Joback Calculated Property
ΔvapH° 66.22 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.936 Crippen Calculated Property
McVol 191.200 ml/mol McGowan Calculated Property
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Inp 1592.00 NIST
Inp 1576.00 NIST
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Inp Outlier 1550.00 NIST
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Inp 1580.00 NIST
Inp Outlier 1554.00 NIST
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Inp Outlier 1601.00 NIST
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Inp 1587.00 NIST
Inp 1582.00 NIST
Inp Outlier 1547.00 NIST
Inp 1581.00 NIST
Inp 1581.00 NIST
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Inp Outlier 1625.00 NIST
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Inp Outlier 1542.00 NIST
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Inp 1600.00 NIST
Inp Outlier 1605.00 NIST
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Inp Outlier 1547.00 NIST
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Inp Outlier 1534.10 NIST
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Inp Outlier 1543.00 NIST
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Inp 1578.70 NIST
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Inp Outlier 1550.00 NIST
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Inp 1558.00 NIST
Inp Outlier 1547.00 NIST
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Inp 1568.00 NIST
Inp Outlier 1552.00 NIST
Inp Outlier 1553.00 NIST
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Inp 1566.00 NIST
Inp 1599.00 NIST
Inp Outlier 1537.00 NIST
Ip [1937.00; 2036.00]   Show Hide
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Tboil 546.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [249.23; 753.33] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.25330e+02
Coefficient B2.26306e+00
Coefficient C-2.16170e-03
Coefficient D8.77300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 249.23 J/mol×K 273.00 Calculated Property
Cp,gas 343.58 J/mol×K 353.78 Calculated Property
Cp,gas 421.88 J/mol×K 434.56 Calculated Property
Cp,gas 486.88 J/mol×K 515.33 Calculated Property
Cp,gas 541.38 J/mol×K 596.11 Calculated Property
Cp,gas 588.15 J/mol×K 676.89 Calculated Property
Cp,gas 629.95 J/mol×K 757.67 Calculated Property
Cp,gas 669.56 J/mol×K 838.44 Calculated Property
Cp,gas 709.77 J/mol×K 919.22 Calculated Property
Cp,gas 753.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cariophyllene oxide II. (+) Caryophyllene oxide. Isocaryophyllene, 5,6-epoxide. (E)-Caryophyllene epoxide. Isocaryophyllene oxide. cis-Caryophyllene epoxide. trans-caryophyllene oxide. 14-Hydroxy-9-epi-(E)-caryophyllene oxide. 14-Hydroxy-4,5-epoxy-«beta»-caryophyllene ( «beta»«alpha»). 14-Hydroxy-4,5-epoxy- «beta»-caryophyllene («beta»«beta»-configuration). 12-nor-2,3-Epoxy-ziza-6(13)-ene. (+)-(E)-limonene oxide. Limonene oxide, trans-. cis-1,2-Limonene oxide. Limonene oxide, cis-.

Find more compounds similar to Caryophyllene oxide.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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