Chemical Properties of 3-(1'-methylbutylidene)-4,5-dihydrophthalide

3-(1'-methylbutylidene)-4,5-dihydrophthalide

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InChI
InChI=1S/C13H18O/c1-3-6-10(2)13-12-8-5-4-7-11(12)9-14-13/h4,7H,3,5-6,8-9H2,1-2H3/b13-10-
InChI Key
JKOMDTBYVZIMAG-RAXLEYEMSA-N
Formula
C13H18O
SMILES
CCCC(C)=C1OCC2=C1CCC=C2
Molecular Weight1
190.28
Sources

Physical Properties

Property Value Unit Source
Δf 150.65 kJ/mol Joback Calculated Property
Δfgas -116.99 kJ/mol Joback Calculated Property
Δfus 25.91 kJ/mol Joback Calculated Property
Δvap 52.78 kJ/mol Joback Calculated Property
logPoct/wat 3.74 Crippen Calculated Property
Pc 2505.01 kPa Joback Calculated Property
Tboil 574.22 K Joback Calculated Property
Tc 793.83 K Joback Calculated Property
Tfus 319.60 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 410.98 J/mol×K 574.22 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3n-valeryl-4,5-dihydrophthalide. (E)-Ligustilide. 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. Eudesma-4(15),7(11),8-trien-12-olide. Senkyunolide H. 3,4-Dimethyl-5-pentylidene-2(5H)-furanone. Chloranthalactone A. Senkyunolide P. 3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one.

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