Chemical Properties of Propionic acid, 2,3-dichloro-2-chloromethyl-, methyl ester (CAS 116594-64-0)

Propionic acid, 2,3-dichloro-2-chloromethyl-, methyl ester

InChI
InChI=1S/C5H7Cl3O2/c1-10-4(9)5(8,2-6)3-7/h2-3H2,1H3
InChI Key
KLXRARKCCAQPMU-UHFFFAOYSA-N
Formula
C5H7Cl3O2
SMILES
COC(=O)C(Cl)(CCl)CCl
Molecular Weight1
205.47
CAS
116594-64-0
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Physical Properties

Property Value Unit Source
ΔfH°gas -512.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.67 kJ/mol Joback Calculated Property
ΔvapH° 61.91 kJ/mol Relay (1.0) Calculated Property
IE 10.42 eV Relay (1.0) Calculated Property
logPoct/wat 1.615 Crippen Calculated Property
McVol 125.470 ml/mol McGowan Calculated Property
Tboil 477.93 K Relay (1.0) Calculated Property
Tfus 293.87 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [234.65; 277.09] J/mol×K [499.15; 710.20] Show Hide
Cp,gas 234.65 J/mol×K 499.15 Joback Calculated Property
Cp,gas 243.00 J/mol×K 534.32 Joback Calculated Property
Cp,gas 250.81 J/mol×K 569.50 Joback Calculated Property
Cp,gas 258.10 J/mol×K 604.67 Joback Calculated Property
Cp,gas 264.90 J/mol×K 639.85 Joback Calculated Property
Cp,gas 271.22 J/mol×K 675.02 Joback Calculated Property
Cp,gas 277.09 J/mol×K 710.20 Joback Calculated Property
η [0.0003190; 0.0032418] Pa×s [310.45; 499.15] Show Hide
η 0.0032418 Pa×s 310.45 Joback Calculated Property
η 0.0018441 Pa×s 341.90 Joback Calculated Property
η 0.0011536 Pa×s 373.35 Joback Calculated Property
η 0.0007762 Pa×s 404.80 Joback Calculated Property
η 0.0005530 Pa×s 436.25 Joback Calculated Property
η 0.0004123 Pa×s 467.70 Joback Calculated Property
η 0.0003190 Pa×s 499.15 Joback Calculated Property

Similar Compounds

Propionic acid, 2,3-dichloro-2-methyl-, methyl ester. Propionic acid, 2,3,3-trichloro-2-chloromethyl, methyl ester. Propanoic acid, 2,2,3-trichloro-, methyl ester. Propanoic acid, 3-chloro-2,2-dimethyl-, methyl ester. Propanoic acid, 2,3-dichloro-, methyl ester. Butanoic acid, 2,3-dichloro-, methyl ester, threo. Butanoic acid, 2,3-dichloro-, methyl ester. Methyl erithro-2,3-dichlorobutanoate. Isobutyl 2,3-dichloropropanoate. Ethyl-2,3-Dichloropropionate. Ethyl 2,3-dichloropropanoate. 2-[(2,2,3-Trichloropropanoyl)oxy]ethyl 2,2,3-trichloropropanoate. Diethylene glycol bis(2,2,3-trichloropropionate). Propanoic acid, 2,3-dichloro-, 1-methylethyl ester. Propyl 2,3-dichloropropanoate.

Find more compounds similar to Propionic acid, 2,3-dichloro-2-chloromethyl-, methyl ester.

Sources

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