Chemical Properties of .beta.-Agarofuran

.beta.-Agarofuran

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InChI
InChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3/t11-,13?,14-/m0/s1
InChI Key
IEZDOTGOEOFYHV-UFPXDFCQSA-N
Formula
C14H22O
SMILES
CC1(C)OC23C=CCCC2(C)CCC1C3
Molecular Weight1
206.32
Sources

Physical Properties

Property Value Unit Source
Δf 132.61 kJ/mol Joback Calculated Property
Δfgas -181.21 kJ/mol Joback Calculated Property
Δfus 11.50 kJ/mol Joback Calculated Property
Δvap 48.05 kJ/mol Joback Calculated Property
logPoct/wat 3.69 Crippen Calculated Property
Pc 2581.96 kPa Joback Calculated Property
Tboil 574.91 K Joback Calculated Property
Tc 819.25 K Joback Calculated Property
Tfus 385.59 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 485.55 J/mol×K 574.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
=CH- (ring) 2
>C< (ring) 3
-CH3 3
>CH- (ring) 1
-CH2- (ring) 5

Similar Compounds

10,11-Epoxy-eremophil-1-ene. 7,10-Epoxy-eremophila-1,11-diene. .alpha.-agorofuran. 4,7-Epoxi-spirovetiva-2,11-diene. 2,5,5,8a-Tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-chromene. Dihydroedulan IA. Dihydroedulane-II. Dihydroedulan. Dihydroedulan I. 2H-1-Benzopyran, 3,4,4a,5,6,8a-hexahydro-2,5,5,8a-tetramethyl-, (2«alpha»,4a«alpha»,8a«alpha»)-. Dihydroedulane II. [1R,3S,6R]-1,3,7,7-Tetramethyl-2-oxabicyclo[4,4,0]dec-9-ene. Dihydroedulan-isomer. Dihydroedulan IIA. Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-8a-methoxy-4a-methyl-cis-.

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