Chemical Properties of 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (CAS 7779-30-8)

1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

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InChI
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
InChI Key
VPKMGDRERYMTJX-CMDGGOBGSA-N
Formula
C14H22O
SMILES
CCC(=O)C=CC1C(C)=CCCC1(C)C
Molecular Weight1
206.32
CAS
7779-30-8
Other Names
  • 1-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
  • «alpha»-N-Methyl ionone
  • 1-(2,6,6-Trimethylcyclohex-2-en-1-yl)-1-pentene-3-one
  • 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
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Physical Properties

Property Value Unit Source
Δf 49.88 kJ/mol Joback Calculated Property
Δfgas -232.12 kJ/mol Joback Calculated Property
Δfus 21.26 kJ/mol Joback Calculated Property
Δvap 53.38 kJ/mol Joback Calculated Property
log10WS -4.08 Crippen Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
McVol 190.230 ml/mol McGowan Calculated Property
Pc 2049.31 kPa Joback Calculated Property
Inp 1503.20 NIST
I [1933.00; 1933.00]   Show Hide
I 1933.00 NIST
I 1933.00 NIST
Tboil 597.01 K Joback Calculated Property
Tc 811.30 K Joback Calculated Property
Tfus 332.71 K Joback Calculated Property
Vc 0.722 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [489.29; 590.35] J/mol×K [597.01; 811.30] Show Hide
Cp,gas 489.29 J/mol×K 597.01 Joback Calculated Property
Cp,gas 508.42 J/mol×K 632.73 Joback Calculated Property
Cp,gas 526.47 J/mol×K 668.44 Joback Calculated Property
Cp,gas 543.56 J/mol×K 704.16 Joback Calculated Property
Cp,gas 559.82 J/mol×K 739.87 Joback Calculated Property
Cp,gas 575.38 J/mol×K 775.59 Joback Calculated Property
Cp,gas 590.35 J/mol×K 811.30 Joback Calculated Property

Similar Compounds

Methylionone 4. Methyl ionone 3. Ionone. «alpha»-Ionone. «alpha»-Ionone. Allyl «alpha»-ionone. Allyl ionone 4. Allyl ionone 2. Allyl ionone 3. Allyl ionone 1. «alpha»-Irone. 6-Methyl ionone. trans-«alpha»-Irone. (E)-4-((1R,5S)-2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one-rel-. cis-«alpha»-Irone.

Find more compounds similar to 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-.

Sources

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