Chemical Properties of 3-(2,4,5-Trichlorophenoxy)-1,2-propanediol bis-(2,2-dichloropropionate) (CAS 101096-60-0)

InChI

InChI=1S/C15H13Cl7O5/c1-14(19,20)12(23)26-6-7(27-13(24)15(2,21)22)5-25-11-4-9(17)8(16)3-10(11)18/h3-4,7H,5-6H2,1-2H3

InChI Key

KKLFMUOVHGJHOX-UHFFFAOYSA-N

Formula

C15H13Cl7O5

SMILES

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

Molecular Weight¹

521.43

CAS

101096-60-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[412.76; 761.63]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.14172e+02
Coefficient B			1.30374e+00
Coefficient C			-8.11680e-04
Coefficient D			1.55400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.76	J/mol×K	273.00	Calculated Property
Cp,gas	480.70	J/mol×K	353.78	Calculated Property
Cp,gas	540.20	J/mol×K	434.56	Calculated Property
Cp,gas	591.74	J/mol×K	515.33	Calculated Property
Cp,gas	635.83	J/mol×K	596.11	Calculated Property
Cp,gas	672.96	J/mol×K	676.89	Calculated Property
Cp,gas	703.61	J/mol×K	757.67	Calculated Property
Cp,gas	728.28	J/mol×K	838.44	Calculated Property
Cp,gas	747.46	J/mol×K	919.22	Calculated Property
Cp,gas	761.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001186; 0.0000201]	Pa×s	[628.96; 855.26]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.57524e+01
Coefficient B			4.22215e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			628.96
Temperature range, max.			855.26
η	0.0001186	Pa×s	628.96	Calculated Property
η	0.0000916	Pa×s	654.10	Calculated Property
η	0.0000722	Pa×s	679.25	Calculated Property
η	0.0000578	Pa×s	704.39	Calculated Property
η	0.0000470	Pa×s	729.54	Calculated Property
η	0.0000388	Pa×s	754.68	Calculated Property
η	0.0000324	Pa×s	779.83	Calculated Property
η	0.0000273	Pa×s	804.97	Calculated Property
η	0.0000233	Pa×s	830.11	Calculated Property
η	0.0000201	Pa×s	855.26	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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