Chemical Properties of 3-hydroxy-5,6-epoxy-«beta»-ionol (CAS 172705-14-5)

3-hydroxy-5,6-epoxy-«beta»-ionol

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InChI
InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+
InChI Key
BVNCCXWAZAZQNM-AATRIKPKSA-N
Formula
C13H22O3
SMILES
CC(O)C=CC12OC1(C)CC(O)CC2(C)C
Molecular Weight1
226.31
CAS
172705-14-5
Sources

Physical Properties

Property Value Unit Source
Δf -145.89 kJ/mol Joback Calculated Property
Δfgas -491.69 kJ/mol Joback Calculated Property
Δfus 19.68 kJ/mol Joback Calculated Property
Δvap 77.90 kJ/mol Joback Calculated Property
logPoct/wat 1.63 Crippen Calculated Property
Pc 2838.39 kPa Joback Calculated Property
Tboil 721.00 K Joback Calculated Property
Tc 919.63 K Joback Calculated Property
Tfus 459.98 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 571.95 J/mol×K 721.0 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (ring) 1
-OH (alcohol) 2
=CH- 2
>C< (ring) 3
-CH3 4
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl-. 3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-. 3-Buten-2-ol, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-. 2,2,6-Trimethyl-1-(3-methylbuta-1,3-dienyl)-7-oxabicyclo[4.1.0]heptan-3-ol. (E)-5,6-Epoxy-«beta»-ionone. 3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-. «beta»-ionone-5,6-epoxide (cis type). trans-«BETA»-ionone-5,6-epoxide. 3-Penten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, (E)-. (E)-4-(2',6',6'-Trimethyl-1',2'-epoxy-cyclohexyl)-3-penten-2-one (isomer 1). 13-nor-4,5-Epoxyeudesm-6-en-11-one. 10,11-Epoxy-eremophil-1-ene. .beta.-Agarofuran. 8-Hydroxytheaspirane. 7,10-Epoxy-eremophila-1,11-diene.

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