Chemical Properties of 2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)- (CAS 471-05-6)

2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)-

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InChI
InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7-
InChI Key
GIHNTRQPEMKFKO-RTTFEGKLSA-N
Formula
C15H22O
SMILES
CC1=CCC(C)(C)C=CC(=O)C(C)=CCC1
Molecular Weight1
218.33
CAS
471-05-6
Other Names
  • Zerumbone
  • Zerumbene
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Physical Properties

Property Value Unit Source
Δf -18.09 kJ/mol Joback Calculated Property
Δfgas -301.47 kJ/mol Joback Calculated Property
Δfus 12.04 kJ/mol Joback Calculated Property
Δvap 55.57 kJ/mol Joback Calculated Property
log10WS -4.60 Crippen Calculated Property
logPoct/wat 4.214 Crippen Calculated Property
McVol 200.020 ml/mol McGowan Calculated Property
Pc 2123.64 kPa Joback Calculated Property
Inp [1710.00; 1754.00]   Show Hide
Inp 1733.00 NIST
Inp Outlier 1710.00 NIST
Inp 1732.00 NIST
Inp 1733.00 NIST
Inp 1731.00 NIST
Inp 1754.00 NIST
Inp 1753.93 NIST
Inp 1727.00 NIST
Inp 1731.00 NIST
Inp 1731.00 NIST
Inp 1733.00 NIST
Inp 1732.00 NIST
Inp 1733.00 NIST
I 2273.00 NIST
Tboil 659.00 K Joback Calculated Property
Tc 908.29 K Joback Calculated Property
Tfus 368.03 K Joback Calculated Property
Vc 0.732 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [540.35; 659.45] J/mol×K [659.00; 908.29] Show Hide
Cp,gas 540.35 J/mol×K 659.00 Joback Calculated Property
Cp,gas 563.31 J/mol×K 700.55 Joback Calculated Property
Cp,gas 584.92 J/mol×K 742.10 Joback Calculated Property
Cp,gas 605.27 J/mol×K 783.64 Joback Calculated Property
Cp,gas 624.42 J/mol×K 825.19 Joback Calculated Property
Cp,gas 642.46 J/mol×K 866.74 Joback Calculated Property
Cp,gas 659.45 J/mol×K 908.29 Joback Calculated Property

Similar Compounds

Zerumbodienone. Humulene. «beta»-Humulene. 3-Buten-2-one, 4-(1,2,6,6-tetramethyl-2-cyclohexen-1-yl)-. «alpha»-Atlantone (E). (Z)-«alpha»-Atlantone. «alpha»-Atlantone (Z). (E)-«alpha»-Atlantone. 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)-. Dehydrofukinone. 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-. 11,12,13-tri-nor-cis-Eudesma-5,8-dien-7-one. 14-Hydroxy-«alpha»-humulene. Isomethyl-«alpha»-damascone. 4-(2,7,7-Trimethylbicyclo[3.2.1]hept-2-en-1-yl]but-3-en-2-one.

Find more compounds similar to 2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,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.