Chemical Properties of Senkyunolide N (CAS 140694-58-2)

Senkyunolide N

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InChI
InChI=1S/C12H18O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h8-9,11,13-14H,2-6H2,1H3
InChI Key
AXRIHSJZHOTGAE-UHFFFAOYSA-N
Formula
C12H18O4
SMILES
CCCCC1OC(=O)C2=C1CCC(O)C2O
Molecular Weight1
226.27
CAS
140694-58-2
Sources

Physical Properties

Property Value Unit Source
Δf -344.00 kJ/mol Joback Calculated Property
Δfgas -723.55 kJ/mol Joback Calculated Property
Δfus 33.99 kJ/mol Joback Calculated Property
Δvap 86.07 kJ/mol Joback Calculated Property
logPoct/wat 0.91 Crippen Calculated Property
Pc 2915.53 kPa Joback Calculated Property
Tboil 783.83 K Joback Calculated Property
Tc 983.26 K Joback Calculated Property
Tfus 488.31 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 559.35 J/mol×K 783.83 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Senkyunolide J. Senkyunolide H. trans-Menthone lactone. (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. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-. 3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one. Sencyunolide. 3,4-Dimethyl-5-pentyl-5H-furan-2-one. Jalcaguaianolide. Isogermafurenolide. (6R)-7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. 5-Hydroxy-3,4-dimethyl-5-pentyl-2(5H)-furanone. «gamma»-Ponalactone. 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-.

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