Chemical Properties of Guaia-1(10),11-dien-15,2-olide

Guaia-1(10),11-dien-15,2-olide

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InChI
InChI=1S/C15H20O2/c1-8-4-5-11-6-13-10(3)14(7-12(8)13)17-15(16)9(11)2/h9,11-12,14H,1,4-7H2,2-3H3
InChI Key
WNLWOLXUWFZXOF-UHFFFAOYSA-N
Formula
C15H20O2
SMILES
C=C1CCC2CC3=C(C)C(CC31)OC(=O)C2C
Molecular Weight1
232.32
Sources

Physical Properties

Property Value Unit Source
Δf 56.63 kJ/mol Joback Calculated Property
Δfgas -330.13 kJ/mol Joback Calculated Property
Δfus 28.46 kJ/mol Joback Calculated Property
Δvap 59.63 kJ/mol Joback Calculated Property
logPoct/wat 3.24 Crippen Calculated Property
Pc 2163.33 kPa Joback Calculated Property
Tboil 678.28 K Joback Calculated Property
Tc 913.85 K Joback Calculated Property
Tfus 428.58 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 562.96 J/mol×K 678.28 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(-)-(1R,3R,6S,10S)-3.alpha.-Acetoxyamorpha-4,7(11)-diene. 2-Hydroxyguaia-1(10),11-dien-15-oic acid. «alpha»-Santonin. 6,11-«alpha»(H)-Santonin. Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-. 6-«alpha»(H)-Santonin. (+)-(1R,2S,6R,8S,10S)-2,8-Epoxyamorpha-4,7(11)-diene. 3-Acetoxyamorpha-4,7(11)-dien-8-one. Jalcaguaianolide. 6,11-Epoxyguaia-4,9-diene. 8-epi-1,2-Dihydroartemisin. Filifolide A. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-. Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-. Cinerin i.

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