Chemical Properties of cis-3-Oxo-«alpha»-ionol

cis-3-Oxo-«alpha»-ionol

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InChI
InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,9,14H,7-8H2,1-4H3/b6-5-
InChI Key
LWWWERIIOIAWQK-WAYWQWQTSA-N
Formula
C13H20O2
SMILES
CC1=C(C=CC(C)O)C(C)(C)CCC1=O
Molecular Weight1
208.30

Physical Properties

Property Value Unit Source
Δf -93.39 kJ/mol Joback Calculated Property
Δfgas -385.24 kJ/mol Joback Calculated Property
Δfus 15.68 kJ/mol Joback Calculated Property
Δvap 65.92 kJ/mol Joback Calculated Property
log10WS -3.28 Crippen Calculated Property
logPoct/wat 2.629 Crippen Calculated Property
McVol 182.010 ml/mol McGowan Calculated Property
Pc 2443.48 kPa Joback Calculated Property
I [2657.00; 2657.00]   Show Hide
I 2657.00 NIST
I 2657.00 NIST
Tboil 689.47 K Joback Calculated Property
Tc 901.80 K Joback Calculated Property
Tfus 402.31 K Joback Calculated Property
Vc 0.680 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [509.79; 596.37] J/mol×K [689.47; 901.80] Show Hide
Cp,gas 509.79 J/mol×K 689.47 Joback Calculated Property
Cp,gas 525.56 J/mol×K 724.86 Joback Calculated Property
Cp,gas 540.68 J/mol×K 760.25 Joback Calculated Property
Cp,gas 555.22 J/mol×K 795.64 Joback Calculated Property
Cp,gas 569.29 J/mol×K 831.02 Joback Calculated Property
Cp,gas 582.97 J/mol×K 866.41 Joback Calculated Property
Cp,gas 596.37 J/mol×K 901.80 Joback Calculated Property

Similar Compounds

4-oxo-«beta»-ionol. 3-Oxo-«beta»-ionol. 3-Oxo-«beta»-ionone. 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-. 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Eudesma-4,6-dien-3-one («beta»-cyperone). 4,6-Eudesmadiene-3,8-dione. 4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol. «beta»-Ionyl acetate. Cholesta-4,6-dien-3-one. 3-hydroxy-«beta»-ionol. «alpha»-Isoamylionone. 2,3-Dehydro-4-oxo-«beta»-ionol. 4,6-Choladienoic acid, 12-«alpha»-hydroxy-3-one, methyl ester, TMS. 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-.

Find more compounds similar to cis-3-Oxo-«alpha»-ionol.

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