Chemical Properties of .alpha.-agorofuran (CAS 5956-12-7)

.alpha.-agorofuran

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InChI
InChI=1S/C15H24O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h6,12H,5,7-10H2,1-4H3
InChI Key
ZLQADKTVJQXDIG-UHFFFAOYSA-N
Formula
C15H24O
SMILES
CC1=CCCC2(C)CCC3CC12OC3(C)C
Molecular Weight1
220.35
CAS
5956-12-7
Other Names
  • «alpha»-Agarofuran
Sources

Physical Properties

Property Value Unit Source
Δf 131.40 kJ/mol Joback Calculated Property
Δfgas -213.32 kJ/mol Joback Calculated Property
Δfus 13.70 kJ/mol Joback Calculated Property
Δvap 50.94 kJ/mol Joback Calculated Property
logPoct/wat 4.08 Crippen Calculated Property
Pc 2313.61 kPa Joback Calculated Property
Tboil 602.77 K Joback Calculated Property
Tc 842.98 K Joback Calculated Property
Tfus 409.38 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 537.54 J/mol×K 602.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
=CH- (ring) 1
=C< (ring) 1
>C< (ring) 3
-CH3 4
>CH- (ring) 1
-CH2- (ring) 5

Similar Compounds

Theaspirane B. (E)-Theaspirane. Theaspirane B. Theaspirane A. cis-theaspirane. Theaspirane A. theaspirane. 7,10-Epoxy-eremophila-1,11-diene. 8-Hydroxytheaspirane. .beta.-Agarofuran. 4,7-Epoxi-spirovetiva-2,11-diene. .beta.-Agarofuran. 10,11-Epoxy-eremophil-1-ene. 7-epi-bourbon-3-en-5,11-oxide. theaspirone.

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