Chemical Properties of «alpha»-Farnesene (CAS 502-61-4)

«alpha»-Farnesene

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InChI
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
InChI Key
CXENHBSYCFFKJS-VDQVFBMKSA-N
Formula
C15H24
SMILES
C=CC(C)=CCC=C(C)CCC=C(C)C
Molecular Weight1
204.35
CAS
502-61-4
Other Names
  • 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)-
  • Farnesene
  • 2,6,10-Trimethyl-2,6,9,11-dodecatetraene, trans-
  • 3,7,11-Trimethyl-1,3,6,10-dodecatetraene, (trans,trans)-
  • (3E,6E)-3,7,11-Trimethyldodeca-1,3,6,10-tetraene
  • «alpha»-E,E-Farnesene
  • «alpha»-Farnesene, (E,E)-
  • «alpha»-trans-Farnesene
  • «alpha»-trans,trans-Farnesene
  • (3E,6E)- «alpha»-Farnesene
  • (E,E)-«alpha»-Farnesene
  • alpha-Farnesene
  • trans-«alpha»-Farnesene
  • trans,trans-«alpha»-Farnesene
  • 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-
  • trans-2,6,10-Trimethyl-2,6,9,11-dodecatetraene
  • trans-3,7,11-Trimethyl-1,3,6,10-dodecatetraene
  • (E,E)-Farnesene
  • E,«alpha»-Farnesene
  • (E; E)-«alpha»-farnesene
  • «alpha»-Farnesene, (Z,E)-
  • E,E-«alpha»,«alpha»-farnesene
  • (E)-3, (E)-6-«alpha»-farnesene
  • (E,E)-«alpha»-Fernesene
  • «alpha»-farnesene (E)
  • 2,6,10-trimethyldodeca-2,6,9,11-tetraene
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Physical Properties

Property Value Unit Source
Δf 378.27 kJ/mol Joback Calculated Property
Δfgas 94.79 kJ/mol Joback Calculated Property
Δfus 30.00 kJ/mol Joback Calculated Property
Δvap 48.43 kJ/mol Joback Calculated Property
log10WS -5.52 Crippen Calculated Property
logPoct/wat 5.202 Crippen Calculated Property
McVol 205.010 ml/mol McGowan Calculated Property
Pc 1672.79 kPa Joback Calculated Property
Inp [1456.00; 1545.00]   Show Hide
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Inp 1510.90 NIST
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I [1695.00; 1778.00]   Show Hide
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Tboil 551.40 K Joback Calculated Property
Tc 741.98 K Joback Calculated Property
Tfus 199.93 K Joback Calculated Property
Vc 0.799 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [483.77; 579.10] J/mol×K [551.40; 741.98] Show Hide
Cp,gas 483.77 J/mol×K 551.40 Joback Calculated Property
Cp,gas 501.93 J/mol×K 583.16 Joback Calculated Property
Cp,gas 519.09 J/mol×K 614.93 Joback Calculated Property
Cp,gas 535.33 J/mol×K 646.69 Joback Calculated Property
Cp,gas 550.70 J/mol×K 678.45 Joback Calculated Property
Cp,gas 565.26 J/mol×K 710.22 Joback Calculated Property
Cp,gas 579.10 J/mol×K 741.98 Joback Calculated Property

Similar Compounds

1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)-. «alpha»-Farnesene isomer. (Z,Z)-«alpha»-Farnesene. (E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene. Alpha cis ocimene. 1,3,7-Octatriene, 3,7-dimethyl-. 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-. 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-. (3E,7E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene. (E,E)-4,8,12-trimethyl-1,3,7,11-tridecatetraene. (E)-4,8-Dimethyl-1,3,7-nonatriene. (Z)-4,8-dimethyl-1,3,7-nonatriene. (E)-4,8-Dimethylnona-1,3,7-triene. 4,8-Dimethyl-1,3,7-nonatriene. «gamma»-Farnesene.

Find more compounds similar to «alpha»-Farnesene.

Sources

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