Chemical Properties of 4-(2,7,7-Trimethylbicyclo[3.2.1]hept-2-en-1-yl]but-3-en-2-one

4-(2,7,7-Trimethylbicyclo[3.2.1]hept-2-en-1-yl]but-3-en-2-one

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InChI
InChI=1S/C15H22O/c1-11-5-6-13-8-10-15(11,14(13,3)4)9-7-12(2)16/h5,7,9,13H,6,8,10H2,1-4H3/b9-7+
InChI Key
AYJXQXRELKDGNE-VQHVLOKHSA-N
Formula
C15H22O
SMILES
CC(=O)C=CC12CCC(CC=C1C)C2(C)C
Molecular Weight1
218.33
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Physical Properties

Property Value Unit Source
Δf 125.66 kJ/mol Joback Calculated Property
Δfgas -158.56 kJ/mol Joback Calculated Property
Δfus 17.79 kJ/mol Joback Calculated Property
Δvap 54.20 kJ/mol Joback Calculated Property
log10WS -4.15 Crippen Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
McVol 193.460 ml/mol McGowan Calculated Property
Pc 2153.30 kPa Joback Calculated Property
Inp 1472.00 NIST
Tboil 622.60 K Joback Calculated Property
Tc 849.19 K Joback Calculated Property
Tfus 389.34 K Joback Calculated Property
Vc 0.741 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [522.99; 627.90] J/mol×K [622.60; 849.19] Show Hide
Cp,gas 522.99 J/mol×K 622.60 Joback Calculated Property
Cp,gas 542.14 J/mol×K 660.36 Joback Calculated Property
Cp,gas 560.25 J/mol×K 698.13 Joback Calculated Property
Cp,gas 577.58 J/mol×K 735.89 Joback Calculated Property
Cp,gas 594.45 J/mol×K 773.66 Joback Calculated Property
Cp,gas 611.12 J/mol×K 811.42 Joback Calculated Property
Cp,gas 627.90 J/mol×K 849.19 Joback Calculated Property

Similar Compounds

4-(2,7,7-Trimethylbicyclo[3.2.0]hept-2-en-1-yl)but-3-en-2-one. 3-Buten-2-one, 4-(1,2,6,6-tetramethyl-2-cyclohexen-1-yl)-. cis-«alpha»-Irone. trans-«alpha»-Irone. 6-Methyl ionone. (E)-4-((1R,5S)-2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one-rel-. «alpha»-Irone. Ionone. «alpha»-Ionone. «alpha»-Ionone. 13-nor-Eremophila-1(10),6-dien-11-one. Methylionone 4. 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Methyl ionone 3. «alpha»-Acoradiene.

Find more compounds similar to 4-(2,7,7-Trimethylbicyclo[3.2.1]hept-2-en-1-yl]but-3-en-2-one.

Sources

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