Chemical Properties of 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]- (CAS 1898-13-1)

1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]-

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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/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10-,19-11-/t20-/m0/s1
InChI Key
DMHADBQKVWXPPM-ZTAOLZRRSA-N
Formula
C20H32
SMILES
CC1=CCC=C(C)CCC=C(C)CCC(C(C)C)C=C1
Molecular Weight1
272.47
CAS
1898-13-1
Other Names
  • 1,3,6,10-Cyclotetradecatetraene, 14-isopropyl-3,7,11-trimethyl-, (+)-
  • (S,1E,3Z,6E,10E)-14-Isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene
  • Cembrene
  • Thunbergen
  • Thunbergene
  • (1S,2E,7E,11E)-2,4(18),7,11-Cembratraene
  • 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, (1E,3Z,6E,10E,14S)-
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Physical Properties

Property Value Unit Source
Δf 133.68 kJ/mol Joback Calculated Property
Δfgas -259.66 kJ/mol Joback Calculated Property
Δfus 22.79 kJ/mol Joback Calculated Property
Δvap 64.69 kJ/mol Joback Calculated Property
log10WS -7.02 Crippen Calculated Property
logPoct/wat 6.618 Crippen Calculated Property
McVol 264.600 ml/mol McGowan Calculated Property
Pc 1450.14 kPa Joback Calculated Property
Inp [1916.00; 1964.00]   Show Hide
Inp 1951.00 NIST
Inp 1916.00 NIST
Inp 1935.00 NIST
Inp 1929.00 NIST
Inp 1932.00 NIST
Inp 1939.00 NIST
Inp 1930.00 NIST
Inp 1948.00 NIST
Inp 1924.00 NIST
Inp 1923.00 NIST
Inp 1941.00 NIST
Inp 1939.00 NIST
Inp 1947.00 NIST
Inp 1940.00 NIST
Inp 1939.00 NIST
Inp 1929.00 NIST
Inp Outlier 1964.00 NIST
Inp 1926.00 NIST
Inp 1958.00 NIST
Inp 1939.00 NIST
I [2175.00; 2207.00]   Show Hide
I 2180.00 NIST
I Outlier 2207.00 NIST
I 2181.00 NIST
I 2175.00 NIST
I 2181.00 NIST
I 2175.00 NIST
Tboil 721.85 K Joback Calculated Property
Tc 956.66 K Joback Calculated Property
Tfus 319.98 K Joback Calculated Property
Vc 0.963 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [774.53; 901.53] J/mol×K [721.85; 956.66] Show Hide
Cp,gas 774.53 J/mol×K 721.85 Joback Calculated Property
Cp,gas 800.86 J/mol×K 760.98 Joback Calculated Property
Cp,gas 825.16 J/mol×K 800.12 Joback Calculated Property
Cp,gas 847.39 J/mol×K 839.25 Joback Calculated Property
Cp,gas 867.55 J/mol×K 878.39 Joback Calculated Property
Cp,gas 885.60 J/mol×K 917.52 Joback Calculated Property
Cp,gas 901.53 J/mol×K 956.66 Joback Calculated Property
η [0.0000089; 0.0041014] Pa×s [319.98; 721.85] Show Hide
η 0.0041014 Pa×s 319.98 Joback Calculated Property
η 0.0006090 Pa×s 386.96 Joback Calculated Property
η 0.0001588 Pa×s 453.94 Joback Calculated Property
η 0.0000585 Pa×s 520.91 Joback Calculated Property
η 0.0000270 Pa×s 587.89 Joback Calculated Property
η 0.0000146 Pa×s 654.87 Joback Calculated Property
η 0.0000089 Pa×s 721.85 Joback Calculated Property

Similar Compounds

Cembrene C. 3(Z)-Cembrene A. «alpha»-Sesquiphellandrene. Dihydro-«alpha»-curcumene. 1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]-. «delta»-Curcumene. «alpha»-curcumene dihydro(+). Isocembrene. Germacrene D isomer # 1. Isogermacrene D. (-)-Germacrene D. Germacrene D. Amorpha-2,4,7(11)-triene. Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, [S-(R*,S*)]-. (6S)-2-Methyl-6-[(1R)-4-methylenecyclohex-2-enyl]hept-2-ene.

Find more compounds similar to 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]-.

Sources

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