Chemical Properties of Diglycolic acid, 2-chlorophenyl ethyl ester

Diglycolic acid, 2-chlorophenyl ethyl ester

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InChI
InChI=1S/C12H13ClO5/c1-2-17-11(14)7-16-8-12(15)18-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3
InChI Key
XBMGEQISROIHHZ-UHFFFAOYSA-N
Formula
C12H13ClO5
SMILES
CCOC(=O)COCC(=O)Oc1ccccc1Cl
Molecular Weight1
272.68
Sources

Physical Properties

Property Value Unit Source
Δf -431.83 kJ/mol Joback Calculated Property
Δfgas -703.51 kJ/mol Joback Calculated Property
Δfus 31.45 kJ/mol Joback Calculated Property
Δvap 70.35 kJ/mol Joback Calculated Property
logPoct/wat 1.83 Crippen Calculated Property
Pc 2460.47 kPa Joback Calculated Property
Tboil 718.05 K Joback Calculated Property
Tc 931.00 K Joback Calculated Property
Tfus 460.41 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 486.30 J/mol×K 718.05 Joback Calculated Property
η 0.00 Pa×s 718.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
-Cl 1
>C=O (nonring) 2

Similar Compounds

Diglycolic acid, 2-chlorophenyl pentyl ester. Diglycolic acid, 2-chlorophenyl decyl ester. Diglycolic acid, 2-chlorophenyl octyl ester. Diglycolic acid, di(2,6-dichlorophenyl) ester. Diglycolic acid, ethyl 2,4,6-trichlorophenyl ester. Diglycolic acid, 2,6-dichlorophenyl nonyl ester. Diglycolic acid, pentyl 2,4,6-trichlorophenyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl ethyl ester. Diglycolic acid, 4-chlorophenyl ethyl ester. Diglycolic acid, 3-chlorophenyl ethyl ester. Acetic acid, 2-(2-chlorophenoxy)ethyl ester. Acetoxyacetic acid, 2,4,5-trichlorophenyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl pentyl ester. o-Acetoxychlorobenzene. Diglycolic acid, 4-chlorophenyl pentyl ester.

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