Chemical Properties of «beta»-Caryophyllene, 14-oxy

«beta»-Caryophyllene, 14-oxy

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InChI
InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+/t13-,14-/m0/s1
InChI Key
MGIQTXDHQJGPEZ-DCOFTTSXSA-N
Formula
C15H24O
SMILES
C=C1CCC=C(CO)CCC2C1CC2(C)C
Molecular Weight1
220.35
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Physical Properties

Property Value Unit Source
Δf 59.81 kJ/mol Joback Calculated Property
Δfgas -264.91 kJ/mol Joback Calculated Property
Δfus 18.91 kJ/mol Joback Calculated Property
Δvap 66.00 kJ/mol Joback Calculated Property
log10WS -4.14 Crippen Calculated Property
logPoct/wat 3.698 Crippen Calculated Property
McVol 197.760 ml/mol McGowan Calculated Property
Pc 2206.22 kPa Joback Calculated Property
I 2357.00 NIST
Tboil 668.48 K Joback Calculated Property
Tc 877.54 K Joback Calculated Property
Tfus 384.53 K Joback Calculated Property
Vc 0.736 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [574.23; 676.30] J/mol×K [668.48; 877.54] Show Hide
Cp,gas 574.23 J/mol×K 668.48 Joback Calculated Property
Cp,gas 593.26 J/mol×K 703.32 Joback Calculated Property
Cp,gas 611.33 J/mol×K 738.17 Joback Calculated Property
Cp,gas 628.56 J/mol×K 773.01 Joback Calculated Property
Cp,gas 645.05 J/mol×K 807.85 Joback Calculated Property
Cp,gas 660.93 J/mol×K 842.69 Joback Calculated Property
Cp,gas 676.30 J/mol×K 877.54 Joback Calculated Property

Similar Compounds

14-Hydroxy-(E)-caryophyllene. [E]-9-epi-14-hydroxycaryophyllene. Caryophyllene, 14-hydroxy-. 14-Hydroxy-isocaryophyllene («beta»-Betulenol). Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1S)-. Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-. (-)-Myrtenol. Selina-3,11-dien-14-ol. Tricyclo[4.4.0.0(2,7)]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-. Ylangenol. «beta»-Acoradienol. «alpha»-Bergamotol. Bergamotol. Bergamotol, Z-«alpha»-trans-. (E)-trans-Bergamota-2,12-dien-14-ol.

Find more compounds similar to «beta»-Caryophyllene, 14-oxy.

Sources

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