Chemical Properties of Methyl ionone I

Methyl ionone I

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InChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3
InChI Key
JRJBVWJSTHECJK-UHFFFAOYSA-N
Formula
C14H22O
SMILES
CC(=O)C(C)=CC1C(C)=CCCC1(C)C
Molecular Weight1
206.32
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Physical Properties

Property Value Unit Source
Δf 41.33 kJ/mol Joback Calculated Property
Δfgas -241.91 kJ/mol Joback Calculated Property
Δfus 19.95 kJ/mol Joback Calculated Property
Δvap 53.46 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 2058.62 kPa Joback Calculated Property
Inp [1471.00; 1471.00]   Show Hide
Inp 1471.00 NIST
Inp 1471.00 NIST
I [1836.00; 1836.00]   Show Hide
I 1836.00 NIST
I 1836.00 NIST
Tboil 596.89 K Joback Calculated Property
Tc 814.96 K Joback Calculated Property
Tfus 318.75 K Joback Calculated Property
Vc 0.723 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [489.05; 591.55] J/mol×K [596.89; 814.96] Show Hide
Cp,gas 489.05 J/mol×K 596.89 Joback Calculated Property
Cp,gas 508.48 J/mol×K 633.24 Joback Calculated Property
Cp,gas 526.79 J/mol×K 669.58 Joback Calculated Property
Cp,gas 544.12 J/mol×K 705.93 Joback Calculated Property
Cp,gas 560.60 J/mol×K 742.27 Joback Calculated Property
Cp,gas 576.37 J/mol×K 778.62 Joback Calculated Property
Cp,gas 591.55 J/mol×K 814.96 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Methyl ionone I.

Sources

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