Chemical Properties of 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- (CAS 24720-09-0)

2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-

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InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
InChI Key
CRIGTVCBMUKRSL-FNORWQNLSA-N
Formula
C13H20O
SMILES
CC=CC(=O)C1C(C)=CCCC1(C)C
Molecular Weight1
192.30
CAS
24720-09-0
Other Names
  • trans-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • (2E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
  • «alpha»-(E)-Damascone
  • (E)-«alpha»-Damascone
  • trans-«alpha»-Damascone
  • (E)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
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Physical Properties

Property Value Unit Source
Δf 41.46 kJ/mol Joback Calculated Property
Δfgas -211.48 kJ/mol Joback Calculated Property
Δfus 18.67 kJ/mol Joback Calculated Property
Δvap 51.16 kJ/mol Joback Calculated Property
log10WS -3.66 Crippen Calculated Property
logPoct/wat 3.514 Crippen Calculated Property
McVol 176.140 ml/mol McGowan Calculated Property
Pc 2239.76 kPa Joback Calculated Property
Inp [1354.00; 1412.00]   Show Hide
Inp 1395.00 NIST
Inp 1395.00 NIST
Inp 1412.00 NIST
Inp 1389.00 NIST
Inp 1354.00 NIST
Inp 1377.00 NIST
Inp 1377.00 NIST
Tboil 574.13 K Joback Calculated Property
Tc 792.17 K Joback Calculated Property
Tfus 321.44 K Joback Calculated Property
Vc 0.665 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [438.46; 536.27] J/mol×K [574.13; 792.17] Show Hide
Cp,gas 438.46 J/mol×K 574.13 Joback Calculated Property
Cp,gas 457.12 J/mol×K 610.47 Joback Calculated Property
Cp,gas 474.66 J/mol×K 646.81 Joback Calculated Property
Cp,gas 491.22 J/mol×K 683.15 Joback Calculated Property
Cp,gas 506.92 J/mol×K 719.49 Joback Calculated Property
Cp,gas 521.90 J/mol×K 755.83 Joback Calculated Property
Cp,gas 536.27 J/mol×K 792.17 Joback Calculated Property

Similar Compounds

3-Oxo-«alpha»-damascone. «alpha»-Damascone. (Z)-«alpha»-Damascone. (Z)-«beta»-Damascone. Bicyclo[3.1.1]hept-2-en-6-one, 2,7,7-trimethyl-. 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-. 24-Norursa-3,12-dien-11-one. (+)-Eudesma-3,11-dien-8-one. (+)-(5S,7S,10S)-Eudesma-3,11-dien-8-one. (+)-Eudesma-3,7(11)-dien-8-one. (+)-(5S,10S)-Eudesma-3,7(11)-dien-8-one. Drimenal. 9,11-Eremophiladien-8-one. Eremophyla-9,11-dien-8-one. (Z)-2-Methyl-6-(4-methyl-5-(3-methylbut-2-enoyl)cyclohex-3-en-1-yl)hepta-2,5-dien-4-one.

Find more compounds similar to 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-.

Sources

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