Chemical Properties of (E)-Caryophyllene

(E)-Caryophyllene

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InChI
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1
InChI Key
NPNUFJAVOOONJE-IOMPXFEGSA-N
Formula
C15H24
SMILES
C=C1CCC=C(C)CCC2C1CC2(C)C
Molecular Weight1
204.35
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Physical Properties

Property Value Unit Source
Δf 196.63 kJ/mol Joback Calculated Property
Δfgas -112.68 kJ/mol Joback Calculated Property
Δfus 14.82 kJ/mol Joback Calculated Property
Δvap 49.32 kJ/mol Joback Calculated Property
log10WS -4.87 Crippen Calculated Property
logPoct/wat 4.725 Crippen Calculated Property
McVol 191.890 ml/mol McGowan Calculated Property
Pc 2027.23 kPa Joback Calculated Property
Inp [1411.00; 1433.00]   Show Hide
Inp 1420.00 NIST
Inp 1420.00 NIST
Inp 1418.00 NIST
Inp 1416.00 NIST
Inp 1415.00 NIST
Inp 1423.00 NIST
Inp Outlier 1433.00 NIST
Inp 1411.00 NIST
Inp 1418.00 NIST
Inp 1421.00 NIST
Inp 1419.00 NIST
Inp 1420.00 NIST
Inp 1419.00 NIST
Inp 1424.00 NIST
Inp 1411.00 NIST
Inp 1418.00 NIST
Inp 1419.00 NIST
Inp 1419.00 NIST
Inp 1411.00 NIST
Inp 1418.00 NIST
Inp 1424.00 NIST
Inp 1411.00 NIST
Inp 1420.00 NIST
Inp 1423.00 NIST
I [1564.00; 1612.00]   Show Hide
I 1564.00 NIST
I 1612.00 NIST
I 1598.00 NIST
I 1564.00 NIST
Tboil 576.30 K Joback Calculated Property
Tc 802.06 K Joback Calculated Property
Tfus 323.71 K Joback Calculated Property
Vc 0.717 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [501.77; 624.31] J/mol×K [576.30; 802.06] Show Hide
Cp,gas 501.77 J/mol×K 576.30 Joback Calculated Property
Cp,gas 525.28 J/mol×K 613.93 Joback Calculated Property
Cp,gas 547.37 J/mol×K 651.55 Joback Calculated Property
Cp,gas 568.18 J/mol×K 689.18 Joback Calculated Property
Cp,gas 587.84 J/mol×K 726.81 Joback Calculated Property
Cp,gas 606.51 J/mol×K 764.43 Joback Calculated Property
Cp,gas 624.31 J/mol×K 802.06 Joback Calculated Property

Similar Compounds

Isocaryophyllene. Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-. (+)(E)-Caryophyllene. Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-deriv.. (1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene. 9-epi-Caryophyllene. Caryophyllene. Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-. 4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-3-ene. 1R,3Z,9s-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-3-ene. Cumacrene. trans-«beta»-Bergamotene. «beta»-trans-Bergamotene. Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1«alpha»,5«alpha»,6«beta»)]-. «beta»-Bergamotene.

Find more compounds similar to (E)-Caryophyllene.

Sources

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