Chemical Properties of C-12 massoia lactone

C-12 massoia lactone

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InChI
InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3/t11-/m0/s1
InChI Key
XPTXKXKPWKNYKB-NSHDSACASA-N
Formula
C12H20O2
SMILES
CCCCCCCC1CC=CC(=O)O1
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf -104.14 kJ/mol Joback Calculated Property
Δfgas -448.61 kJ/mol Joback Calculated Property
Δfus 27.38 kJ/mol Joback Calculated Property
Δvap 51.78 kJ/mol Joback Calculated Property
logPoct/wat 3.22 Crippen Calculated Property
Pc 2261.11 kPa Joback Calculated Property
Tboil 587.44 K Joback Calculated Property
Tc 794.47 K Joback Calculated Property
Tfus 327.93 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 451.21 J/mol×K 587.44 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 1
=CH- (ring) 2
-CH2- 6
>C=O (ring) 1
>CH- (ring) 1
-CH2- (ring) 1

Similar Compounds

6-Nonyl-5,6-dihydro-2H-pyran-2-one. C-14 massoia lactone. 6-Undecyl-5,6-dihydro-2H-pyran-2-one. 6-heptyl-5,6-dihydro-2H-pyran-2-one. Massoilactone. 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-. 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)]-. «gamma»-2-dodecenolactone. 9-Octadecenoic, d-12-acetoxy-, (z), butyl ester. 13-Hexyloxacyclotridec-10-en-2-one. (5H)-5-Pentyl-2-furanone.

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