Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2,4-dichloro-1-naphthyl ester

Glutaric acid, hex-4-yn-3-yl 2,4-dichloro-1-naphthyl ester

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InChI
InChI=1S/C21H20Cl2O4/c1-3-8-14(4-2)26-19(24)11-7-12-20(25)27-21-16-10-6-5-9-15(16)17(22)13-18(21)23/h5-6,9-10,13-14H,4,7,11-12H2,1-2H3
InChI Key
IIYMHMDRLUHDOB-UHFFFAOYSA-N
Formula
C21H20Cl2O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)c2ccccc21
Molecular Weight1
407.29
Sources

Physical Properties

Property Value Unit Source
Δf 24.77 kJ/mol Joback Calculated Property
Δfgas -337.64 kJ/mol Joback Calculated Property
Δfus 53.61 kJ/mol Joback Calculated Property
Δvap 97.09 kJ/mol Joback Calculated Property
logPoct/wat 5.57 Crippen Calculated Property
Pc 1578.46 kPa Joback Calculated Property
Tboil 976.48 K Joback Calculated Property
Tc 1215.23 K Joback Calculated Property
Tfus 718.37 K Joback Calculated Property
Vc 1.13 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 848.34 J/mol×K 976.48 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
>C=O (nonring) 2
=CH- (ring) 5
#C- 2
=C< (ring) 5
-CH2- 4
-Cl 2
-CH3 2

Similar Compounds

Glutaric acid, 2,4-dichloronaphthyl propyl ester. Glutaric acid, 2,4-dichloronaphthyl ethyl ester. Sebacic acid, 2,4-dichloronaphth-1-yl propyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dichloro-1-naphthyl ester. Glutaric acid, 2,2,3,3-tetrafluoropropyl 2,4-dichloro-1-naphthyl ester. 2-Ethylbutyric acid, 2,4-dichloronaphth-1-yl ester. Glutaric acid, 2-fluorophenyl 2,4-dichloro-1-naphthyl ester. Diethylmalonic acid, 2,4-dichloronaphth-1-yl pentyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4-dichloro-1-naphthyl ester. Diethylmalonic acid, butyl 2,4-dichloronaphth-1-yl ester. Diethylmalonic acid, decyl 2,4-dichloronaphth-1-yl ester. Diethylmalonic acid, 2,4-dichloronaphth-1-yl octyl ester. Diethylmalonic acid, 2,4-dichloronaphth-1-yl undecyl ester. Diethylmalonic acid, 2,4-dichloronaphth-1-yl nonyl ester. Glutaric acid, hex-4-yn-3-yl 1-naphthyl ester.

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