Chemical Properties of Sencyunolide (CAS 62006-39-7)

Sencyunolide

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InChI
InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3
InChI Key
ZPIKVDODKLJKIN-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CCCCC1OC(=O)C2=C1CCC=C2
Molecular Weight1
192.25
CAS
62006-39-7
Other Names
  • (-)-Sedanenolide
  • (S)-3-Butyl-4,5-dihydroisobenzofuran-1(3H)-one
  • (S)-Sedanenolide
  • 1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (-)-
  • 1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (S)-
  • 3-n-Butyl-4,5-dihydrophthalide
  • Sedanenolide
  • Senkyunolide A
Sources

Physical Properties

Property Value Unit Source
Δf -24.98 kJ/mol Joback Calculated Property
Δfgas -320.63 kJ/mol Joback Calculated Property
Δfus 24.89 kJ/mol Joback Calculated Property
Δvap 53.62 kJ/mol Joback Calculated Property
logPoct/wat 2.75 Crippen Calculated Property
Pc 2673.54 kPa Joback Calculated Property
Tboil 607.97 K Joback Calculated Property
Tc 833.96 K Joback Calculated Property
Tfus 375.91 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 414.73 J/mol×K 607.97 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one. trans-Menthone lactone. (6R,7aS)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-. (6R,7aR)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. 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. cis-ligustilide. (E)-Ligustilide.

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