Chemical Properties of 3-(2,4,5-Trichlorophenoxy)-1,2-propanediol bis-(2,2-dichloropropionate) (CAS 101096-60-0)

3-(2,4,5-Trichlorophenoxy)-1,2-propanediol bis-(2,2-dichloropropionate)

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InChI
InChI=1S/C15H13Cl7O5/c1-14(19,20)12(23)26-6-7(27-13(24)15(2,21)22)5-25-11-4-9(17)8(16)3-10(11)18/h3-4,7H,5-6H2,1-2H3
InChI Key
KKLFMUOVHGJHOX-UHFFFAOYSA-N
Formula
C15H13Cl7O5
SMILES
CC(Cl)(Cl)C(=O)OCC(COc1cc(Cl)c(Cl)cc1Cl)OC(=O)C(C)(Cl)Cl
Molecular Weight1
521.43
CAS
101096-60-0
Sources

Physical Properties

Property Value Unit Source
Δf -494.17 kJ/mol Joback Calculated Property
Δfgas -905.59 kJ/mol Joback Calculated Property
Δfus 45.27 kJ/mol Joback Calculated Property
Δvap 101.68 kJ/mol Joback Calculated Property
logPoct/wat 5.87 Crippen Calculated Property
Pc 1587.28 kPa Joback Calculated Property
Tboil 1014.33 K Joback Calculated Property
Tc 1261.62 K Joback Calculated Property
Tfus 688.62 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 762.88 J/mol×K 1014.33 Joback Calculated Property
η 0.00 Pa×s 1014.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>CH- 1
-Cl 7
=CH- (ring) 2
=C< (ring) 4
-CH2- 2
>C< 2
-CH3 2
>C=O (nonring) 2

Similar Compounds

3-(2,4,5-Trichlorophenoxy)-1,2-propanediol-bis-2,2,3-trichloropropionate. 2-(2,4,5-Trichlorophenoxy)propyl 2,2-dichloropropanoate. 2-Methyl-2-(2,4,5-trichlorophenoxy)ethyl 2,2,3-trichloropropionate. 2-(2,4,5-Trichlorophenoxy)ethyl 2,2-dichloropropanoate. 2-(2,4,5-Trichlorophenoxy)ethyl 2,2,3-trichloropropanoate. 2-(3,4-Dichlorophenoxy)-1-methylethyl 2,2-dichloropropanoate. 2-(2,4,5-Trichlorophenoxy)ethyl trichloroacetate. Propanoic acid, 2-(2,4,5-trichlorophenoxy)-, butyl ester. 2-Butoxyethyl (2,4,5-trichlorophenoxy)acetate. 2-Hydroxyethyl 2-(2,4,5-trichlorophenoxy)propanoate. Butyl (2,4,5-trichlorophenoxy)acetate. (2,4,5-Trichlorophenoxy)acetic acid, monobutylene glycol ester. Acetic acid, (2,4,5-trichlorophenoxy)-, 2-methylpropyl ester. 2,4,5-T isopropyl ester. 2-(3,4-Dichlorophenoxy)ethyl 2,2-dichloropropanoate.

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