Chemical Properties of Isocaryophyllene oxide (CAS 17627-43-9)

Isocaryophyllene oxide

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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-XPCVCDNBSA-N
Formula
C15H24O
SMILES
C=C1CCC2OC2(C)CCC2C1CC2(C)C
Molecular Weight1
220.35
CAS
17627-43-9
Other Names
  • 4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
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Physical Properties

Property Value Unit Source
Δf 161.93 kJ/mol Joback Calculated Property
Δfgas -210.97 kJ/mol Joback Calculated Property
Δfus 19.08 kJ/mol Joback Calculated Property
Δvap 50.99 kJ/mol Joback Calculated Property
log10WS -4.23 Crippen Calculated Property
logPoct/wat 3.936 Crippen Calculated Property
McVol 191.200 ml/mol McGowan Calculated Property
Pc 2145.33 kPa Joback Calculated Property
Inp [1527.00; 1564.00]   Show Hide
Inp 1555.00 NIST
Inp 1564.00 NIST
Inp 1527.00 NIST
Inp 1555.00 NIST
I [1976.00; 2003.00]   Show Hide
I 2003.00 NIST
I Outlier 1976.00 NIST
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Tboil 592.88 K Joback Calculated Property
Tc 822.50 K Joback Calculated Property
Tfus 381.64 K Joback Calculated Property
Vc 0.722 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [539.37; 661.78] J/mol×K [592.88; 822.50] Show Hide
Cp,gas 539.37 J/mol×K 592.88 Joback Calculated Property
Cp,gas 562.46 J/mol×K 631.15 Joback Calculated Property
Cp,gas 584.07 J/mol×K 669.42 Joback Calculated Property
Cp,gas 604.52 J/mol×K 707.69 Joback Calculated Property
Cp,gas 624.09 J/mol×K 745.96 Joback Calculated Property
Cp,gas 643.08 J/mol×K 784.23 Joback Calculated Property
Cp,gas 661.78 J/mol×K 822.50 Joback Calculated Property

Similar Compounds

(+) Caryophyllene oxide. Caryophyllene oxide. cis-Caryophyllene epoxide. Cariophyllene oxide II. (E)-Caryophyllene epoxide. Isocaryophyllene, 5,6-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, cis-. Limonene oxide, trans-. 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-.

Find more compounds similar to Isocaryophyllene oxide.

Sources

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