Chemical Properties of Glutaric acid, 1-cyclopentylethyl tridec-2-yn-1-yl ester

Glutaric acid, 1-cyclopentylethyl tridec-2-yn-1-yl ester

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InChI
InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-28-24(26)19-16-20-25(27)29-22(2)23-17-13-14-18-23/h22-23H,3-11,13-14,16-21H2,1-2H3
InChI Key
ASQRASOMOGHTKF-UHFFFAOYSA-N
Formula
C25H42O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(C)C1CCCC1
Molecular Weight1
406.60
Sources

Physical Properties

Property Value Unit Source
Δf -71.31 kJ/mol Joback Calculated Property
Δfgas -721.43 kJ/mol Joback Calculated Property
Δfus 59.61 kJ/mol Joback Calculated Property
Δvap 91.58 kJ/mol Joback Calculated Property
logPoct/wat 6.36 Crippen Calculated Property
Pc 990.13 kPa Joback Calculated Property
Tboil 947.82 K Joback Calculated Property
Tc 1161.39 K Joback Calculated Property
Tfus 617.83 K Joback Calculated Property
Vc 1.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1220.00 J/mol×K 947.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 2
#C- 2
-CH2- 13
>C=O (nonring) 2
>CH- (ring) 1
-CH2- (ring) 4

Similar Compounds

Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester. Glutaric acid, 1-cyclopentylethyl but-3-yn-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylhex-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-heptyl ester. Glutaric acid, tridec-2-yn-1-yl 2-decyl ester. Glutaric acid, tridec-2-yn-1-yl 2-octyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpent-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 3-methylbut-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-hexyl ester. Glutaric acid, di(1-cyclopentylethyl) ester. Glutaric acid, 1-cyclopentylethyl hept-2-yl ester. Glutaric acid, 1-cyclopentylethyl 3-methylbut-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylhexyl ester. Glutaric acid, 1-cyclopentylethyl dec-2-yl ester.

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