Chemical Properties of Senkyunolide H (CAS 94596-27-7)

Senkyunolide H

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InChI
InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-
InChI Key
DQNGMIQSXNGHOA-WTKPLQERSA-N
Formula
C12H16O4
SMILES
CCCC=C1OC(=O)C2=C1CCC(O)C2O
Molecular Weight1
224.25
CAS
94596-27-7
Sources

Physical Properties

Property Value Unit Source
Δf -290.83 kJ/mol Joback Calculated Property
Δfgas -627.18 kJ/mol Joback Calculated Property
Δfus 33.24 kJ/mol Joback Calculated Property
Δvap 87.17 kJ/mol Joback Calculated Property
logPoct/wat 1.04 Crippen Calculated Property
Pc 3121.00 kPa Joback Calculated Property
Tboil 795.14 K Joback Calculated Property
Tc 998.83 K Joback Calculated Property
Tfus 502.91 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 527.94 J/mol×K 795.14 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

sedanonic acid lactone. Senkyunolide N. Senkyunolide J. (3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide. Senkyunolide P. cis-ligustilide. (Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (E)-Ligustilide. (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one. Eudesma-4(15),7(11),8-trien-12-olide. Chloranthalactone A. (6R)-5,6-Dihydro-3,6-dimethyl-benzo-[b]-furan-2(4H)-one. cis-Acetylhumulinic acid, TMS. trans-Isohumulone, TMS.

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