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

3-hydroxy-«beta»-ionone

PDF Excel Molecule Calculator
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.