Chemical Properties of 4-(2,4-Dichlorophenoxy)butyl 2,2,3-trichloropropanoate (CAS 116402-63-2)

InChI

InChI=1S/C13H13Cl5O3/c14-8-13(17,18)12(19)21-6-2-1-5-20-11-4-3-9(15)7-10(11)16/h3-4,7H,1-2,5-6,8H2

InChI Key

BGPDOPQNJMHBIX-UHFFFAOYSA-N

Formula

C13H13Cl5O3

SMILES

O=C(OCCCCOc1ccc(Cl)cc1Cl)C(Cl)(Cl)CCl

Molecular Weight¹

394.51

CAS

116402-63-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.15; 641.47]	J/mol×K	[816.11; 1045.20]
Cp,gas	593.15	J/mol×K	816.11	Joback Calculated Property
Cp,gas	603.35	J/mol×K	854.29	Joback Calculated Property
Cp,gas	612.64	J/mol×K	892.47	Joback Calculated Property
Cp,gas	621.06	J/mol×K	930.65	Joback Calculated Property
Cp,gas	628.64	J/mol×K	968.83	Joback Calculated Property
Cp,gas	635.43	J/mol×K	1007.01	Joback Calculated Property
Cp,gas	641.47	J/mol×K	1045.20	Joback Calculated Property
η	[0.0000593; 0.0004270]	Pa×s	[534.14; 816.11]
η	0.0004270	Pa×s	534.14	Joback Calculated Property
η	0.0002690	Pa×s	581.13	Joback Calculated Property
η	0.0001815	Pa×s	628.13	Joback Calculated Property
η	0.0001294	Pa×s	675.12	Joback Calculated Property
η	0.0000964	Pa×s	722.12	Joback Calculated Property
η	0.0000745	Pa×s	769.11	Joback Calculated Property
η	0.0000593	Pa×s	816.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(2,4-Dichlorophenoxy)butyl 2,2,3-trichloropropanoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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