Chemical Properties of «gamma»-Irone (CAS 79-68-5)

«gamma»-Irone

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InChI
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+
InChI Key
MVPDTCQYNRKWJA-CMDGGOBGSA-N
Formula
C14H22O
SMILES
C=C1CCC(C)C(C)(C)C1C=CC(C)=O
Molecular Weight1
206.32
CAS
79-68-5
Other Names
  • 6-Methyl- «gamma»-(E)-ionone
  • 4-(2,2,3-trimethyl-6-methylenecyclohexyl)-3-buten-2-one
  • 4-(2,2,3-trimethyl-6-methylenecyclohexyl)but-3-en-2-one
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Physical Properties

Property Value Unit Source
Δf 74.92 kJ/mol Joback Calculated Property
Δfgas -214.53 kJ/mol Joback Calculated Property
Δfus 20.34 kJ/mol Joback Calculated Property
Δvap 52.28 kJ/mol Joback Calculated Property
log10WS -3.84 Crippen Calculated Property
logPoct/wat 3.760 Crippen Calculated Property
McVol 190.230 ml/mol McGowan Calculated Property
Pc 1985.89 kPa Joback Calculated Property
Inp [1476.00; 1561.90]   Show Hide
Inp 1476.00 NIST
Inp 1478.00 NIST
Inp 1561.90 NIST
Inp 1502.00 NIST
Inp 1502.00 NIST
Inp 1476.00 NIST
Inp 1561.90 NIST
Inp 1478.00 NIST
I [1834.00; 1834.00]   Show Hide
I 1834.00 NIST
I 1834.00 NIST
Tboil 587.36 K Joback Calculated Property
Tc 800.43 K Joback Calculated Property
Tfus 328.87 K Joback Calculated Property
Vc 0.719 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [489.39; 594.01] J/mol×K [587.36; 800.43] Show Hide
Cp,gas 489.39 J/mol×K 587.36 Joback Calculated Property
Cp,gas 509.20 J/mol×K 622.87 Joback Calculated Property
Cp,gas 527.92 J/mol×K 658.38 Joback Calculated Property
Cp,gas 545.64 J/mol×K 693.90 Joback Calculated Property
Cp,gas 562.49 J/mol×K 729.41 Joback Calculated Property
Cp,gas 578.58 J/mol×K 764.92 Joback Calculated Property
Cp,gas 594.01 J/mol×K 800.43 Joback Calculated Property

Similar Compounds

(E)-15,16-Dinorlabda-8(17),11-dien-13-one. 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-. «gamma»-Methylionone. «alpha»-Ionone. «alpha»-Ionone. Ionone. sibirene. «alpha»-Irone. 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. 6-Methyl ionone. Methyl ionone 3. 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. Methylionone 4.

Find more compounds similar to «gamma»-Irone.

Sources

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