Chemical Properties of 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one (CAS 1203-08-3)

4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one

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InChI
InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+
InChI Key
UWWCASOGCPOGJP-BQYQJAHWSA-N
Formula
C13H18O
SMILES
CC(=O)C=CC1=C(C)C=CCC1(C)C
Molecular Weight1
190.28
CAS
1203-08-3
Other Names
  • 3,4-Dehydro-«beta»-ionone
  • Dehydro-«beta»-ionone
  • 3,4-didehydro-«beta»-ionone
  • dehydroionone
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Physical Properties

Property Value Unit Source
Δf 69.50 kJ/mol Joback Calculated Property
Δfgas -144.83 kJ/mol Joback Calculated Property
Δfus 18.43 kJ/mol Joback Calculated Property
Δvap 52.42 kJ/mol Joback Calculated Property
log10WS -3.76 Crippen Calculated Property
logPoct/wat 3.434 Crippen Calculated Property
McVol 171.840 ml/mol McGowan Calculated Property
Pc 2358.78 kPa Joback Calculated Property
Inp [1460.00; 1487.00]   Show Hide
Inp 1485.30 NIST
Inp 1485.00 NIST
Inp 1487.00 NIST
Inp Outlier 1460.00 NIST
Inp 1485.30 NIST
Inp 1485.00 NIST
Tboil 582.94 K Joback Calculated Property
Tc 804.13 K Joback Calculated Property
Tfus 338.96 K Joback Calculated Property
Vc 0.652 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [417.12; 505.11] J/mol×K [582.94; 804.13] Show Hide
Cp,gas 417.12 J/mol×K 582.94 Joback Calculated Property
Cp,gas 433.84 J/mol×K 619.80 Joback Calculated Property
Cp,gas 449.57 J/mol×K 656.67 Joback Calculated Property
Cp,gas 464.42 J/mol×K 693.53 Joback Calculated Property
Cp,gas 478.54 J/mol×K 730.40 Joback Calculated Property
Cp,gas 492.06 J/mol×K 767.26 Joback Calculated Property
Cp,gas 505.11 J/mol×K 804.13 Joback Calculated Property

Similar Compounds

dehydroionene. 1,3-Cyclohexadiene, 1,2,6,6-tetramethyl-. 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-. 1,4,4,7a-tetramethyl-4,5-dihydroindene. trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Allyl ionone. Damascenone A. 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-. 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-. 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-. Selina 2,4-diene. 2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-. Anhydroretinol.

Find more compounds similar to 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one.

Sources

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