Chemical Properties of 8-epi-1,2-Dihydroartemisin

8-epi-1,2-Dihydroartemisin

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InChI
InChI=1S/C16H22O3/c1-8-7-16(4)6-5-11(17)9(2)13(16)14-12(8)10(3)15(18)19-14/h8,10,12,14H,5-7H2,1-4H3/t8-,10+,12?,14?,16-/m0/s1
InChI Key
WTVNWPMSXICFCN-XGTCKSAYSA-N
Formula
C16H22O3
SMILES
CC1=C2C3OC(=O)C(C)C3C(C)CC2(C)CCC1=O
Molecular Weight1
262.34
Sources

Physical Properties

Property Value Unit Source
Δf -123.82 kJ/mol Joback Calculated Property
Δfgas -577.81 kJ/mol Joback Calculated Property
Δfus 26.49 kJ/mol Joback Calculated Property
Δvap 64.49 kJ/mol Joback Calculated Property
logPoct/wat 2.89 Crippen Calculated Property
Pc 2032.72 kPa Joback Calculated Property
Tboil 765.39 K Joback Calculated Property
Tc 1013.29 K Joback Calculated Property
Tfus 514.05 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 679.67 J/mol×K 765.39 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

«alpha»-Santonin. 6-«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»)]-. 6,11-«alpha»(H)-Santonin. 6Alpha,21-diacetoxy-11beta,17alpha-dihydroxypregn-4-ene-3,20-dione. 6-Acetoxy-11-nor-drim-7-en-9-one. GA73, Me. GA73 Methyl ester, [D2]. Aristol-1(10)-en-9-yl isovalerate. Pyrethrin I. 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»]]-. Cinerin i. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester. Bioallethrin. Allethrin, isomers 1,2.

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