Chemical Properties of Diethylene glycol bis(2,2,3-trichloropropionate) (CAS 114165-21-8)

InChI

InChI=1S/C10H12Cl6O5/c11-5-9(13,14)7(17)20-3-1-19-2-4-21-8(18)10(15,16)6-12/h1-6H2

InChI Key

NOYHNJCHAMNARI-UHFFFAOYSA-N

Formula

C10H12Cl6O5

SMILES

O=C(OCCOCCOC(=O)C(Cl)(Cl)CCl)C(Cl)(Cl)CCl

Molecular Weight¹

424.92

CAS

114165-21-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.21; 622.52]	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			9.85160e+01
Coefficient B			1.07340e+00
Coefficient C			-6.86000e-04
Coefficient D			1.36600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.21	J/mol×K	273.00	Calculated Property
Cp,gas	398.45	J/mol×K	353.78	Calculated Property
Cp,gas	446.63	J/mol×K	434.56	Calculated Property
Cp,gas	488.19	J/mol×K	515.33	Calculated Property
Cp,gas	523.55	J/mol×K	596.11	Calculated Property
Cp,gas	553.14	J/mol×K	676.89	Calculated Property
Cp,gas	577.40	J/mol×K	757.67	Calculated Property
Cp,gas	596.77	J/mol×K	838.44	Calculated Property
Cp,gas	611.66	J/mol×K	919.22	Calculated Property
Cp,gas	622.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005456; 0.0000609]	Pa×s	[493.71; 700.77]	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			-1.49321e+01
Coefficient B			3.66257e+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.			493.71
Temperature range, max.			700.77
η	0.0005456	Pa×s	493.71	Calculated Property
η	0.0003921	Pa×s	516.72	Calculated Property
η	0.0002899	Pa×s	539.72	Calculated Property
η	0.0002196	Pa×s	562.73	Calculated Property
η	0.0001701	Pa×s	585.74	Calculated Property
η	0.0001343	Pa×s	608.74	Calculated Property
η	0.0001079	Pa×s	631.75	Calculated Property
η	0.0000880	Pa×s	654.76	Calculated Property
η	0.0000728	Pa×s	677.77	Calculated Property
η	0.0000609	Pa×s	700.77	Calculated Property

Similar Compounds

Find more compounds similar to Diethylene glycol bis(2,2,3-trichloropropionate).

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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