Chemical Properties of Ethanol, 2,2,2-trichloro-, benzoate (CAS 37934-99-9)

Ethanol, 2,2,2-trichloro-, benzoate

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InChI
InChI=1S/C9H7Cl3O2/c10-9(11,12)6-14-8(13)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key
WGXLSZQUOYSATB-UHFFFAOYSA-N
Formula
C9H7Cl3O2
SMILES
O=C(OCC(Cl)(Cl)Cl)c1ccccc1
Molecular Weight1
253.51
CAS
37934-99-9
Other Names
  • 2,2,2-Trichloroethyl benzoate
  • Benzoic acid, 2,2,2-trichloroethyl ester
  • Trichloroethyl benzoate
Sources

Physical Properties

Property Value Unit Source
Δf -129.56 kJ/mol Joback Calculated Property
Δfgas -293.33 kJ/mol Joback Calculated Property
Δfus 21.07 kJ/mol Joback Calculated Property
Δvap 58.92 kJ/mol Joback Calculated Property
logPoct/wat 3.21 Crippen Calculated Property
Pc 3096.73 kPa Joback Calculated Property
Tboil 617.35 K Joback Calculated Property
Tc 860.55 K Joback Calculated Property
Tfus 381.95 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 331.31 J/mol×K 617.35 Joback Calculated Property
η 0.00 Pa×s 617.35 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 3
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
>C< 1
>C=O (nonring) 1

Similar Compounds

2,2-Dichloroethyl benzoate. 4-Methylbenzoic acid, 2,2,2-trichloroethyl ester. 2-Chloroethyl benzoate. Terephthalic acid, di(2,2-dichloroethyl) ester. Benzoic acid, 4-chloro, 2,2,2-trichloroethyl ester. Benzoic acid, 3-methyl-, 2,2,2-trichloroethyl ester. Benzoic acid, 4-chloro, 2,2-dichloroethyl ester. Benzoic acid, ethyl ester. 2,2,2-Trichloroethyl 3-chlorobenzoate. 4-Butylbenzoic acid, 2,2,2-trichloroethyl ester. Terephthalic acid, 2,2-dichloroethyl isobutyl ester. Terephthalic acid, butyl 2,2-dichloroethyl ester. 4-Chlorobenzoic acid, 2-chloroethyl ester. 1,2-Ethanediol, monobenzoate. Benzoic acid, 2-propenyl ester.

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