Chemical Properties of Massoilactone (CAS 51154-96-2)

Massoilactone

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InChI
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3
InChI Key
NEDIAPMWNCQWNW-UHFFFAOYSA-N
Formula
C10H16O2
SMILES
CCCCCC1CC=CC(=O)O1
Molecular Weight1
168.23
CAS
51154-96-2
Other Names
  • (R)-(-)-Massoilactone
  • 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (6R)-
  • 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (R)-
  • 5,6-Dihydro-6-pentyl-(2H)-pyran-2-one, massoi lactone
  • 5,6-Dihydro-6-pentyl-(2H)-pyran-2-one-, (R)
  • 5-Pentylpent-2-en-5-olide
  • 6-Pentyl-5,6-dihydro-2H-pyran-2-one, (6R)-
  • 6-pentyl-5,6-dihydropyran-2-one
  • Cocolactone
  • Massoia lactone
  • Massoya lactone
Sources

Physical Properties

Property Value Unit Source
Δf -120.98 kJ/mol Joback Calculated Property
Δfgas -407.33 kJ/mol Joback Calculated Property
Δfus 22.20 kJ/mol Joback Calculated Property
Δvap 47.33 kJ/mol Joback Calculated Property
logPoct/wat 2.44 Crippen Calculated Property
Pc 2738.28 kPa Joback Calculated Property
Tboil 541.68 K Joback Calculated Property
Tc 755.53 K Joback Calculated Property
Tfus 305.39 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 352.39 J/mol×K 541.68 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2H-Pyran-2-one, 5,6-dihydro-6-pentyl-. C-14 massoia lactone. 6-Nonyl-5,6-dihydro-2H-pyran-2-one. 6-Undecyl-5,6-dihydro-2H-pyran-2-one. 6-heptyl-5,6-dihydro-2H-pyran-2-one. C-12 massoia lactone. 6-Propyl-5,6-dihydro-2H-pyran-2-one. 6-Ethyl-5,6-dihydro-2H-pyran-2-one. Tuberolactone. Fumaric acid, 4-octyl dodec-2-en-1-yl ester. 9-Octadecenoic acid, 12-(acetyloxy)-, methyl ester, [R-(Z)]-. (5H)-5-Pentyl-2-furanone. «gamma»-2-dodecenolactone. 9-Octadecenoic, d-12-acetoxy-, (z), butyl ester. 13-Hexyloxacyclotridec-10-en-2-one.

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