Chemical Properties of cis-ligustilide

cis-ligustilide

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
InChI Key
IQVQXVFMNOFTMU-FLIBITNWSA-N
Formula
C12H14O2
SMILES
CCCC=C1OC(=O)C2=C1CCC=C2
Molecular Weight1
190.24
Sources

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

(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (E)-Ligustilide. (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.

Find more compounds similar to cis-ligustilide.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.