Chemical Properties of 13-Hexyloxacyclotridec-10-en-2-one (CAS 127062-51-5)

13-Hexyloxacyclotridec-10-en-2-one

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InChI
InChI=1S/C18H32O2/c1-2-3-4-11-14-17-15-12-9-7-5-6-8-10-13-16-18(19)20-17/h9,12,17H,2-8,10-11,13-16H2,1H3/b12-9+
InChI Key
MLZOTJKUDBBLDQ-FMIVXFBMSA-N
Formula
C18H32O2
SMILES
CCCCCCC1CC=CCCCCCCCC(=O)O1
Molecular Weight1
280.45
CAS
127062-51-5
Other Names
  • (E)-13-Hexyloxacyclotridec-10-en-2-one
Sources

Physical Properties

Property Value Unit Source
Δf -138.32 kJ/mol Joback Calculated Property
Δfgas -615.57 kJ/mol Joback Calculated Property
Δfus 28.22 kJ/mol Joback Calculated Property
Δvap 66.34 kJ/mol Joback Calculated Property
logPoct/wat 5.56 Crippen Calculated Property
Pc 1594.89 kPa Joback Calculated Property
Tboil 754.61 K Joback Calculated Property
Tc 986.12 K Joback Calculated Property
Tfus 370.91 K Joback Calculated Property
Vc 0.93 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 809.59 J/mol×K 754.61 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 1
=CH- (ring) 2
-CH2- 5
>C=O (ring) 1
>CH- (ring) 1
-CH2- (ring) 8

Similar Compounds

9-Octadecenoic, d-12-acetoxy-, (z), butyl ester. 9-Octadecenoic acid, 12-(acetyloxy)-, methyl ester, [R-(Z)]-. trans-7-decen-5-olide. 2H-Pyran-2-one, tetrahydro-6-(2-pentenyl)-, (Z)-. 7-decen-5-olide. 2-Methoxyethyl (9z)-12-(acetyloxy)-9-octadecenoate. Glutaric acid, dodec-2-en-1-yl 3-octyl ester. cis-«gamma»-Jasmine lactone. trans-«gamma»-jasmine lactone. 2(3H)-Furanone, dihydro-5-(2-octenyl)-, (Z)-. 6-Dodecenyl-«gamma»-lactone. Succinic acid, dec-2-yl tetradec-3-en-1-yl ester. Glyceryl tri(acetylricinoleate). 4-hydroxy-(Z)-non-6-enoic acid, lactone. Succinic acid, hept-2-yl tetradec-3-en-1-yl ester.

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