Chemical Properties of 3-(2,4,5-Trichlorophenoxy)-1,2-propanediol-bis-2,2,3-trichloropropionate (CAS 100961-23-7)

InChI

InChI=1S/C15H11Cl9O5/c16-5-14(21,22)12(25)28-4-7(29-13(26)15(23,24)6-17)3-27-11-2-9(19)8(18)1-10(11)20/h1-2,7H,3-6H2

InChI Key

QWIBKUQOFSIULI-UHFFFAOYSA-N

Formula

C15H11Cl9O5

SMILES

O=C(OCC(COc1cc(Cl)c(Cl)cc1Cl)OC(=O)C(Cl)(Cl)CCl)C(Cl)(Cl)CCl

Molecular Weight¹

590.32

CAS

100961-23-7

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[788.94; 802.65]	J/mol×K	[1089.19; 1344.71]
Cp,gas	788.94	J/mol×K	1089.19	Joback Calculated Property
Cp,gas	793.15	J/mol×K	1131.78	Joback Calculated Property
Cp,gas	796.49	J/mol×K	1174.36	Joback Calculated Property
Cp,gas	799.04	J/mol×K	1216.95	Joback Calculated Property
Cp,gas	800.86	J/mol×K	1259.53	Joback Calculated Property
Cp,gas	802.04	J/mol×K	1302.12	Joback Calculated Property
Cp,gas	802.65	J/mol×K	1344.71	Joback Calculated Property
η	[0.0000091; 0.0000604]	Pa×s	[748.46; 1089.19]
η	0.0000604	Pa×s	748.46	Joback Calculated Property
η	0.0000394	Pa×s	805.25	Joback Calculated Property
η	0.0000272	Pa×s	862.04	Joback Calculated Property
η	0.0000197	Pa×s	918.83	Joback Calculated Property
η	0.0000148	Pa×s	975.61	Joback Calculated Property
η	0.0000115	Pa×s	1032.40	Joback Calculated Property
η	0.0000091	Pa×s	1089.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(2,4,5-Trichlorophenoxy)-1,2-propanediol-bis-2,2,3-trichloropropionate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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