Chemical Properties of 3-hydroxy-«beta»-ionone

3-hydroxy-«beta»-ionone

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

Physical Properties

Property Value Unit Source
Δf -104.99 kJ/mol Joback Calculated Property
Δfgas -375.18 kJ/mol Joback Calculated Property
Δfus 22.37 kJ/mol Joback Calculated Property
Δvap 68.50 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 2412.37 kPa Joback Calculated Property
Inp [1646.00; 1719.00]   Show Hide
Inp 1676.00 NIST
Inp 1646.00 NIST
Inp 1676.00 NIST
Inp 1719.00 NIST
Inp 1676.00 NIST
Inp 1719.00 NIST
I [2641.00; 2702.00]   Show Hide
I 2693.00 NIST
I 2702.00 NIST
I 2700.00 NIST
I 2700.00 NIST
I 2672.00 NIST
I 2675.00 NIST
I 2656.00 NIST
I Outlier 2641.00 NIST
I 2700.00 NIST
I 2693.00 NIST
I 2675.00 NIST
I 2700.00 NIST
Tboil 671.29 K Joback Calculated Property
Tc 875.23 K Joback Calculated Property
Tfus 394.78 K Joback Calculated Property
Vc 0.684 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [500.33; 582.75] J/mol×K [671.29; 875.23] Show Hide
Cp,gas 500.33 J/mol×K 671.29 Joback Calculated Property
Cp,gas 515.41 J/mol×K 705.28 Joback Calculated Property
Cp,gas 529.82 J/mol×K 739.27 Joback Calculated Property
Cp,gas 543.66 J/mol×K 773.26 Joback Calculated Property
Cp,gas 557.02 J/mol×K 807.25 Joback Calculated Property
Cp,gas 570.02 J/mol×K 841.24 Joback Calculated Property
Cp,gas 582.75 J/mol×K 875.23 Joback Calculated Property

Similar Compounds

2-Cyclohexen-1-ol, 3-(1-buten-1-yl), 2,4,4-trimethyl. 3-hydroxy-«beta»-ionol. 4-(3-hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol. 2-Hydroxy-«beta»-Ionone. 3-Hydroxy-«beta»-damascone. Cholesta-4,6-dien-3-ol, (3«beta»)-. Eudesma-3,5-dien-1«beta»-ol. 4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol. Eudesma-3,5-dien-1-«alpha»-ol. Estra-4,9,11-trien-3-one, 17-«beta»-hydroxy-. 5,8-Pregnadiene-3«beta»,20«alpha»-diol. Cyperol. Dehydroergosterol. 6-«beta»-Hydroxymetandienone, 17-TMS. 17-epi-6-«beta»-Hydroxymetandienone, 17-TMS.

Find more compounds similar to 3-hydroxy-«beta»-ionone.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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