Chemical Properties of (E)-Ligustilide


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InChI Key
Molecular Weight1
Other Names
  • Ligustilide, (E)-
  • trans-ligustilide

Physical Properties

Property Value Unit Source
Δf 28.19 kJ/mol Joback Calculated Property
Δfgas -224.26 kJ/mol Joback Calculated Property
Δfus 24.14 kJ/mol Joback Calculated Property
Δvap 54.72 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 2853.57 kPa Joback Calculated Property
Tboil 619.28 K Joback Calculated Property
Tc 852.20 K Joback Calculated Property
Tfus 390.51 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 391.29 J/mol×K 619.28 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

cis-ligustilide. (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one. sedanonic acid lactone. (6R)-5,6-Dihydro-3,6-dimethyl-benzo-[b]-furan-2(4H)-one. (3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide. 3n-valeryl-4,5-dihydrophthalide. 3-(1'-methylbutylidene)-4,5-dihydrophthalide. Eudesma-4(15),7(11),8-trien-12-olide. 3,4-Dimethyl-5-pentylidene-2(5H)-furanone. Senkyunolide H. Chloranthalactone A. 3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one. Sencyunolide.

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