Chemical Properties of (R,1E,5E,9E)-1,5,9-Trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene (CAS 31570-39-5)

(R,1E,5E,9E)-1,5,9-Trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene

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InChI
InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1
InChI Key
VWSPQDDPRITBAM-KPGNMOGWSA-N
Formula
C20H32
SMILES
C=C(C)C1CC=C(C)CCC=C(C)CCC=C(C)CC1
Molecular Weight1
272.47
CAS
31570-39-5
Other Names
  • 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, (1E,5E,9E,12R)-
  • 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, [R-(E,E,E)]-
  • 1,5,9-Cyclotetradecatriene, 13-isopropenyl-2,6,10-trimethyl-, (-)-
  • (-)-Cembrene A
  • Cembrene A
  • Neocembrene A
  • (R)-(-)-Cembrene A
  • Neocembrene
  • CEMBRENE A (711293 K111)
  • 3E-Cembrene A
  • (E)-3-Cembrene A

Physical Properties

Property Value Unit Source
Δf 185.45 kJ/mol Joback Calculated Property
Δfgas -196.52 kJ/mol Joback Calculated Property
Δfus 22.50 kJ/mol Joback Calculated Property
Δvap 64.19 kJ/mol Joback Calculated Property
log10WS -7.26 Crippen Calculated Property
logPoct/wat 6.762 Crippen Calculated Property
McVol 264.600 ml/mol McGowan Calculated Property
Pc 1453.46 kPa Joback Calculated Property
Inp [1917.00; 1970.00]   Show Hide
Inp 1941.00 NIST
Inp 1956.00 NIST
Inp 1959.00 NIST
Inp 1960.00 NIST
Inp 1960.00 NIST
Inp Outlier 1917.00 NIST
Inp 1970.00 NIST
Inp 1956.00 NIST
Inp 1960.00 NIST
Inp Outlier 1917.00 NIST
Inp 1961.00 NIST
Inp 1959.00 NIST
Inp 1951.00 NIST
Inp 1959.00 NIST
Inp 1959.00 NIST
Inp 1959.00 NIST
Inp 1941.00 NIST
Tboil 719.69 K Joback Calculated Property
Tc 956.28 K Joback Calculated Property
Tfus 318.50 K Joback Calculated Property
Vc 0.965 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [773.61; 903.08] J/mol×K [719.69; 956.28] Show Hide
Cp,gas 773.61 J/mol×K 719.69 Joback Calculated Property
Cp,gas 800.41 J/mol×K 759.12 Joback Calculated Property
Cp,gas 825.14 J/mol×K 798.55 Joback Calculated Property
Cp,gas 847.79 J/mol×K 837.98 Joback Calculated Property
Cp,gas 868.34 J/mol×K 877.42 Joback Calculated Property
Cp,gas 886.78 J/mol×K 916.85 Joback Calculated Property
Cp,gas 903.08 J/mol×K 956.28 Joback Calculated Property

Similar Compounds

Helmintogermacrene. (+)-(7S)-Helmintogermacrene. (+)-Helminthogermacrene. (+)-Germacrene A. Germacrene A. Limonene. D-Limonene. Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-. Limonene. (+)-Axinyssene. Myrcene dimer. Dimyrcene isomer # 3. p-Camphorene. dimyrcene-II. Bisabolene.

Find more compounds similar to (R,1E,5E,9E)-1,5,9-Trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene.

Sources

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