Chemical Properties of (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one (CAS 116964-00-2)

(Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one

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InChI
InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8-9H,2-5,7H2,1H3/b12-9-
InChI Key
HMAYXYFQOZZPEZ-XFXZXTDPSA-N
Formula
C13H16O2
SMILES
CCCCC=C1OC(=O)C2=C1CCC=C2
Molecular Weight1
204.26
CAS
116964-00-2
Sources

Physical Properties

Property Value Unit Source
Δf 36.61 kJ/mol Joback Calculated Property
Δfgas -244.90 kJ/mol Joback Calculated Property
Δfus 26.73 kJ/mol Joback Calculated Property
Δvap 56.94 kJ/mol Joback Calculated Property
logPoct/wat 3.26 Crippen Calculated Property
Pc 2581.96 kPa Joback Calculated Property
Tboil 642.16 K Joback Calculated Property
Tc 870.52 K Joback Calculated Property
Tfus 401.78 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 441.34 J/mol×K 642.16 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

cis-ligustilide. (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (E)-Ligustilide. (Z)-3-Butylidene-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. Chloranthalactone A. Senkyunolide H. 3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one. Sencyunolide.

Find more compounds similar to (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one.

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