Chemical Properties of Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1«alpha»,5«alpha»,6«beta»)]- (CAS 55123-21-2)

Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1«alpha»,5«alpha»,6«beta»)]-

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InChI
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3
InChI Key
DGZBGCMPRYFWFF-UHFFFAOYSA-N
Formula
C15H24
SMILES
C=C1CCC2CC1C2(C)CCC=C(C)C
Molecular Weight1
204.35
CAS
55123-21-2
Other Names
  • (-)-.beta.-caryophyllene
  • (-)-E-caryophyllene
  • (-)-caryophyllene
  • (-)-trans-caryophyllene
  • (E)-«beta»-Bergamotene
  • .beta.-caryophyllen
  • .beta.-caryophyllene
  • .beta.-caryophyllene, (-)
  • 6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)-bicyclo[3.1.1]heptane
  • 6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]heptane-, [1R-(1«alpha»,5«alpha»,6«beta»)]-
  • Bergamotene
  • [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]-4-undecene
  • [1R-(1R*,4E,9S*)]-8-methylene-4,11,11-trimethylbicyclo[7.2.0]-4-undecene
  • bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,(E)-(1R,9S)-(-)-
  • bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4E,9S*)]-
  • caryophyllene
  • l-caryophyllene
  • trans-caryophyllene
  • trans-«beta»-bergamotene
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Physical Properties

Property Value Unit Source
Δf 296.37 kJ/mol Joback Calculated Property
Δfgas -26.92 kJ/mol Joback Calculated Property
Δfus 21.28 kJ/mol Joback Calculated Property
Δvap 47.72 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 1915.26 kPa Joback Calculated Property
Inp [1424.00; 1490.00]   Show Hide
Inp 1475.00 NIST
Inp 1485.00 NIST
Inp 1486.00 NIST
Inp 1433.00 NIST
Inp 1479.00 NIST
Inp 1479.00 NIST
Inp 1476.00 NIST
Inp 1479.00 NIST
Inp 1436.00 NIST
Inp 1439.00 NIST
Inp 1438.00 NIST
Inp 1470.00 NIST
Inp 1480.00 NIST
Inp 1471.00 NIST
Inp 1484.00 NIST
Inp 1446.00 NIST
Inp 1430.00 NIST
Inp 1436.00 NIST
Inp 1467.00 NIST
Inp 1424.00 NIST
Inp 1435.00 NIST
Inp 1438.00 NIST
Inp 1427.00 NIST
Inp 1427.00 NIST
Inp 1475.00 NIST
Inp 1490.00 NIST
Inp 1480.00 NIST
Inp 1479.00 NIST
Inp 1490.00 NIST
Inp 1475.00 NIST
Inp 1486.00 NIST
I [1586.00; 1596.00]   Show Hide
I 1586.00 NIST
I 1596.00 NIST
I 1588.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1586.00 NIST
I 1593.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1591.00 NIST
I 1586.00 NIST
I 1586.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1595.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1594.00 NIST
I 1586.00 NIST
Tboil 559.12 K Joback Calculated Property
Tc 765.28 K Joback Calculated Property
Tfus 305.47 K Joback Calculated Property
Vc 0.744 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [495.48; 603.56] J/mol×K [559.12; 765.28] Show Hide
Cp,gas 495.48 J/mol×K 559.12 Joback Calculated Property
Cp,gas 516.19 J/mol×K 593.48 Joback Calculated Property
Cp,gas 535.61 J/mol×K 627.84 Joback Calculated Property
Cp,gas 553.91 J/mol×K 662.20 Joback Calculated Property
Cp,gas 571.23 J/mol×K 696.56 Joback Calculated Property
Cp,gas 587.73 J/mol×K 730.92 Joback Calculated Property
Cp,gas 603.56 J/mol×K 765.28 Joback Calculated Property
ΔvapH 65.90 kJ/mol 298.15 Thermoc...

Similar Compounds

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

Find more compounds similar to Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1«alpha»,5«alpha»,6«beta»)]-.

Sources

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