Chemical Properties of (3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide

(3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide

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InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h2-3,8H,4-7H2,1H3/b3-2+,11-8+
InChI Key
UXDOUGRRBVGDEB-FWTOVJONSA-N
Formula
C12H14O2
SMILES
CC=CC=C1OC(=O)C2=C1CCCC2
Molecular Weight1
190.24
Sources

Physical Properties

Property Value Unit Source
Δf 78.45 kJ/mol Joback Calculated Property
Δfgas -164.82 kJ/mol Joback Calculated Property
Δfus 23.12 kJ/mol Joback Calculated Property
Δvap 54.38 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 2902.98 kPa Joback Calculated Property
Tboil 624.28 K Joback Calculated Property
Tc 865.17 K Joback Calculated Property
Tfus 384.67 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 391.71 J/mol×K 624.28 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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