Chemical Properties of 3-Oxo-«beta»-ionol

3-Oxo-«beta»-ionol

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InChI
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10,14H,7-8H2,1-4H3/b6-5+
InChI Key
YJCYWLADCDHKRN-AATRIKPKSA-N
Formula
C13H20O2
SMILES
CC1=C(C=CC(C)O)C(C)(C)CC(=O)C1
Molecular Weight1
208.30
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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 [2563.00; 2569.00]   Show Hide
I 2569.00 NIST
I 2563.00 NIST
I 2569.00 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-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. cis-3-Oxo-«alpha»-ionol. 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, (E)-. 4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol. «beta»-Ionyl acetate. 3-hydroxy-«beta»-ionol. 3-hydroxy-«beta»-ionone. (E)-4-(3-Oxo-2,6,6-trimethylcyclohex-1-en-1-yl)-3-buten-2-ol. 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-. (9R)-9-Hydroxy-4-7E-megastigmadien-3-one. 4-(3-hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol. 6-Hydroxy-1,1,6-trimethyl-1,2,5,6-tetrahydronaphthalene. 2-Hydroxy-«beta»-Ionone. «alpha»-Isoamylionone.

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

Sources

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