Chemical Properties of 3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one (CAS 128575-99-5)

3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one

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InChI
InChI=1S/C13H18O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8,12H,2-5,7,9H2,1H3
InChI Key
LSRBNNXNGNVZQN-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCCC1OC(=O)C2=C1CCC=C2
Molecular Weight1
206.28
CAS
128575-99-5
Sources

Physical Properties

Property Value Unit Source
Δf -16.56 kJ/mol Joback Calculated Property
Δfgas -341.27 kJ/mol Joback Calculated Property
Δfus 27.48 kJ/mol Joback Calculated Property
Δvap 55.85 kJ/mol Joback Calculated Property
logPoct/wat 3.14 Crippen Calculated Property
Pc 2426.65 kPa Joback Calculated Property
Tboil 630.85 K Joback Calculated Property
Tc 852.67 K Joback Calculated Property
Tfus 387.18 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 465.58 J/mol×K 630.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
>C=O (ring) 1
=CH- (ring) 2
=C< (ring) 2
-CH2- 4
-CH3 1
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

Sencyunolide. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-. (6R,7aS)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. (6R,7aR)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. trans-Menthone lactone. 3,4-Dimethyl-5-pentyl-5H-furan-2-one. Isogermafurenolide. Jalcaguaianolide. Senkyunolide J. Senkyunolide N. (6R)-7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. 5-Hydroxy-3,4-dimethyl-5-pentyl-2(5H)-furanone. (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one. (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (E)-Ligustilide.

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

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