Chemical Properties of 2,3-Dehydro-4-oxo-«beta»-ionol

2,3-Dehydro-4-oxo-«beta»-ionol

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InChI
InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-9,14H,1-4H3/b6-5+
InChI Key
FZJGHQBGWXPTDS-AATRIKPKSA-N
Formula
C13H18O2
SMILES
CC1=C(C=CC(C)O)C(C)(C)C=CC1=O
Molecular Weight1
206.28
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Physical Properties

Property Value Unit Source
Δf -63.43 kJ/mol Joback Calculated Property
Δfgas -327.46 kJ/mol Joback Calculated Property
Δfus 16.91 kJ/mol Joback Calculated Property
Δvap 66.21 kJ/mol Joback Calculated Property
log10WS -3.13 Crippen Calculated Property
logPoct/wat 2.405 Crippen Calculated Property
McVol 177.710 ml/mol McGowan Calculated Property
Pc 2532.82 kPa Joback Calculated Property
I [2800.00; 2800.00]   Show Hide
I 2800.00 NIST
I 2800.00 NIST
Tboil 688.63 K Joback Calculated Property
Tc 902.66 K Joback Calculated Property
Tfus 403.07 K Joback Calculated Property
Vc 0.666 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [486.03; 567.38] J/mol×K [688.63; 902.66] Show Hide
Cp,gas 486.03 J/mol×K 688.63 Joback Calculated Property
Cp,gas 500.81 J/mol×K 724.30 Joback Calculated Property
Cp,gas 514.97 J/mol×K 759.97 Joback Calculated Property
Cp,gas 528.62 J/mol×K 795.65 Joback Calculated Property
Cp,gas 541.83 J/mol×K 831.32 Joback Calculated Property
Cp,gas 554.72 J/mol×K 866.99 Joback Calculated Property
Cp,gas 567.38 J/mol×K 902.66 Joback Calculated Property

Similar Compounds

cis-3-Oxo-«alpha»-ionol. 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 3-Oxo-«beta»-ionol. 4-oxo-«beta»-ionol. 4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol. 6-Hydroxy-1,1,6-trimethyl-1,2,5,6-tetrahydronaphthalene. 2,3-Dehydro-«alpha»-ionol. 4-(3-hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol. «beta»-Ionyl acetate. 3-hydroxy-«beta»-ionol. 4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one. Vomifoliol. (9R)-9-Hydroxy-4-7E-megastigmadien-3-one. (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-.

Find more compounds similar to 2,3-Dehydro-4-oxo-«beta»-ionol.

Sources

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