Chemical Properties of Erbon (CAS 136-25-4)

Erbon

InChI
InChI=1S/C11H9Cl5O3/c1-11(15,16)10(17)19-3-2-18-9-5-7(13)6(12)4-8(9)14/h4-5H,2-3H2,1H3
InChI Key
KMHZPJNVPCAUMN-UHFFFAOYSA-N
Formula
C11H9Cl5O3
SMILES
CC(Cl)(Cl)C(=O)OCCOc1cc(Cl)c(Cl)cc1Cl
Molecular Weight1
366.45
CAS
136-25-4
Other Names
  • 2,2-Dichloropropionic acid 2-(2,4,5-trichlorophenoxy)ethyl ester
  • 2,4,5-Trichlorophenoxyethyl-«alpha»,«alpha»-dichloropropionate
  • 2-(2,4,5-Trichlorfenoxy)ethylester kyseliny 2,2-dichlorpropionove
  • 2-(2,4,5-Trichlorophenoxy)ethyl 2,2-dichloropropanoate
  • 2-(2,4,5-Trichlorophenoxy)ethyl 2,2-dichloropropionate
  • Baron
  • ERBN
  • Ethanol, 2-(2,4,5-trichlorophenoxy)-, 2,2-dichloropropionate
  • Novege
  • Novon
  • Pentanate
  • Propanoic acid, 2,2-dichloro-, 2-(2,4,5-trichlorophenoxy)ethyl ester
  • Propionic acid, 2,2-dichloro-, 2-(2,4,5-trichlorophenoxy)ethyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 36.25 kJ/mol Joback Calculated Property
log10WS -6.05 Relay (1.0) Calculated Property
logPoct/wat 4.763 Crippen Calculated Property
McVol 216.600 ml/mol McGowan Calculated Property
Tfus 322.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [286.53; 528.61] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A9.27720e+01
Coefficient B8.33220e-01
Coefficient C-4.72880e-04
Coefficient D7.55000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 286.53 J/mol×K 273.00 Calculated Property
Cp,gas 331.70 J/mol×K 353.78 Calculated Property
Cp,gas 371.75 J/mol×K 434.56 Calculated Property
Cp,gas 406.91 J/mol×K 515.33 Calculated Property
Cp,gas 437.42 J/mol×K 596.11 Calculated Property
Cp,gas 463.52 J/mol×K 676.89 Calculated Property
Cp,gas 485.45 J/mol×K 757.67 Calculated Property
Cp,gas 503.45 J/mol×K 838.44 Calculated Property
Cp,gas 517.76 J/mol×K 919.22 Calculated Property
Cp,gas 528.61 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0111072; 0.0001001] Pa×s [322.65; 695.31] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.32861e+01
Coefficient B2.83479e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.322.65
Temperature range, max.695.31
η 0.0111072 Pa×s 322.65 Calculated Property
η 0.0040890 Pa×s 364.06 Calculated Property
η 0.0018461 Pa×s 405.46 Calculated Property
η 0.0009659 Pa×s 446.87 Calculated Property
η 0.0005640 Pa×s 488.28 Calculated Property
η 0.0003582 Pa×s 529.69 Calculated Property
η 0.0002430 Pa×s 571.09 Calculated Property
η 0.0001737 Pa×s 612.50 Calculated Property
η 0.0001296 Pa×s 653.91 Calculated Property
η 0.0001001 Pa×s 695.31 Calculated Property

Similar Compounds

2-(2,4,5-Trichlorophenoxy)ethyl 2,2,3-trichloropropanoate. 2-(3,4-Dichlorophenoxy)ethyl 2,2-dichloropropanoate. 2-(2,4,5-Trichlorophenoxy)ethyl trichloroacetate. 2-(2,4,5-Trichlorophenoxy)propyl 2,2-dichloropropanoate. 2-(3,4-Dichlorophenoxy)ethyl 2,2,3-trichloropropanoate. 2-Methyl-2-(2,4,5-trichlorophenoxy)ethyl 2,2,3-trichloropropionate. 3-(2,4,5-Trichlorophenoxy)-1,2-propanediol bis-(2,2-dichloropropionate). 2-[2-(2,4,5-Trichlorophenoxy)ethoxy]ethanol. 3-(2,4,5-Trichlorophenoxy)-1,2-propanediol-bis-2,2,3-trichloropropionate. 2-(3,4-Dichlorophenoxy)-1-methylethyl 2,2-dichloropropanoate. 2-Hydroxyethyl 2-(2,4,5-trichlorophenoxy)propanoate. 2-(4-Chloro-o-toloxy)ethyl alpha,alpha-dichloropropionate. Silvex, ethylated. N-propyl ester of 2,4,5-trichlorophenoxy acetic acid. Acetic acid, (2,4,5-trichlorophenoxy)-, 2-butoxyethyl ester.

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Sources

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