Chemical Properties of 3,6-Dimethyl-benzo-[b]-furan-2(3H)-one

3,6-Dimethyl-benzo-[b]-furan-2(3H)-one

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InChI
InChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3
InChI Key
JSJKAEKKWQOCEZ-UHFFFAOYSA-N
Formula
C10H10O2
SMILES
Cc1ccc2c(c1)OC(=O)C2C
Molecular Weight1
162.19
Sources

Physical Properties

Property Value Unit Source
Δf -21.49 kJ/mol Joback Calculated Property
Δfgas -233.04 kJ/mol Joback Calculated Property
Δfus 20.54 kJ/mol Joback Calculated Property
Δvap 50.12 kJ/mol Joback Calculated Property
logPoct/wat 2.02 Crippen Calculated Property
Pc 3376.28 kPa Joback Calculated Property
Tboil 566.35 K Joback Calculated Property
Tc 804.88 K Joback Calculated Property
Tfus 366.65 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 297.91 J/mol×K 566.35 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-butyl dihydrophthalide. Butyric acid, 2-phenyl-, 3-methylphenyl ester. Thymyl isobutyrate. 5-methyl-2-(isopropyl)phenyl isovalerate. thymyl valerate. Thymyl 2-methylbutyrate. Thymyl methacrylate. 2-Coumaranone. Phenol, 5-methyl-2-(1-methylethyl)-, acetate. 6-Methoxythymyl isobutyrate. 6-Methoxythymyl isobutyrate. 3-METHYL-2,3-DIHYDRO-BENZOFURAN. Thymyl tiglate. Thymyl angelate. 6-Methoxythymyl 2-methylbutyrate.

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