Chemical Properties of Caryophyllene, 5,6-epoxide

Caryophyllene, 5,6-epoxide

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InChI
InChI=1S/C15H22O/c1-9-5-6-12-11(8-15(12,3)4)10(2)7-13-14(9)16-13/h5,11-14H,2,6-8H2,1,3-4H3/b9-5-/t11-,12-,13?,14?/m0/s1
InChI Key
NXKCYZMFPBDBKQ-KRKYHIKISA-N
Formula
C15H22O
SMILES
C=C1CC2OC2C(C)=CCC2C1CC2(C)C
Molecular Weight1
218.33
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Physical Properties

Property Value Unit Source
Δf 187.75 kJ/mol Joback Calculated Property
Δfgas -179.90 kJ/mol Joback Calculated Property
Δfus 26.21 kJ/mol Joback Calculated Property
Δvap 53.09 kJ/mol Joback Calculated Property
log10WS -4.08 Crippen Calculated Property
logPoct/wat 3.712 Crippen Calculated Property
McVol 186.900 ml/mol McGowan Calculated Property
Pc 2098.42 kPa Joback Calculated Property
Inp 1571.00 NIST
I 1953.00 NIST
Tboil 596.78 K Joback Calculated Property
Tc 820.63 K Joback Calculated Property
Tfus 371.02 K Joback Calculated Property
Vc 0.710 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [521.09; 634.88] J/mol×K [596.78; 820.63] Show Hide
Cp,gas 521.09 J/mol×K 596.78 Joback Calculated Property
Cp,gas 542.87 J/mol×K 634.09 Joback Calculated Property
Cp,gas 563.28 J/mol×K 671.40 Joback Calculated Property
Cp,gas 582.52 J/mol×K 708.70 Joback Calculated Property
Cp,gas 600.74 J/mol×K 746.01 Joback Calculated Property
Cp,gas 618.14 J/mol×K 783.32 Joback Calculated Property
Cp,gas 634.88 J/mol×K 820.63 Joback Calculated Property

Similar Compounds

caryophyllenyl acetate. (6R)-Hydroxy-«beta»-caryophyllene acetate. Glutaric acid, myrtenyl hept-2-yl ester. Glutaric acid, myrtenyl dec-2-yl ester. (+)-(1R,5S,6R,9R,10R)-5,9-Epoxyamorpha-3,7(11)-diene. Glutaric acid, myrtenyl 2-methylpent-3-yl ester. Aristol-1(10)-en-9-yl isovalerate. 5,8-Epoxyamorpha-3,7(11)-diene. Glutaric acid, myrtenyl 3-methylbut-2-yl ester. Glutaric acid, myrtenyl 8-chlorooctyl ester. 13-nor-7,8-Epoxy-eremophil-1(10)-en-11-one. Caryophyllen-5-ol II. Caryophyllenol I. Caryophyllen-5-ol III. Caryophylla-3,8(13)-dien-5«alpha»-ol.

Find more compounds similar to Caryophyllene, 5,6-epoxide.

Sources

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