Chemical Properties of 8-Hydroxytheaspirane

8-Hydroxytheaspirane

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InChI
InChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3
InChI Key
AVMRWEITZUAUJV-UHFFFAOYSA-N
Formula
C13H22O2
SMILES
CC1=CC(O)CC(C)(C)C12CCC(C)O2
Molecular Weight1
210.31
Sources

Physical Properties

Property Value Unit Source
Δf -97.33 kJ/mol Joback Calculated Property
Δfgas -438.81 kJ/mol Joback Calculated Property
Δfus 19.74 kJ/mol Joback Calculated Property
Δvap 64.27 kJ/mol Joback Calculated Property
logPoct/wat 2.66 Crippen Calculated Property
Pc 2555.92 kPa Joback Calculated Property
Tboil 641.81 K Joback Calculated Property
Tc 854.83 K Joback Calculated Property
Tfus 398.06 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 520.06 J/mol×K 641.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Theaspirane A. Theaspirane B. (E)-Theaspirane. theaspirane. cis-theaspirane. Theaspirane A. Theaspirane B. .alpha.-agorofuran. 7,10-Epoxy-eremophila-1,11-diene. theaspirone. 4,7-Epoxi-spirovetiva-2,11-diene. himachalene oxide. 7-epi-bourbon-3-en-5,11-oxide. .beta.-Agarofuran. 1,11-Epxoycadina-4,9-diene.

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