Chemical Properties of Diethylene glycol, mono-(2,5-dichlorophenyl) ether (CAS 116435-12-2)

InChI

InChI=1S/C10H12Cl2O3/c11-8-1-2-9(12)10(7-8)15-6-5-14-4-3-13/h1-2,7,13H,3-6H2

InChI Key

WTIUVRSTVZQVCY-UHFFFAOYSA-N

Formula

C10H12Cl2O3

SMILES

OCCOCCOc1cc(Cl)ccc1Cl

Molecular Weight¹

251.11

CAS

116435-12-2

• 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	[235.58; 482.84]	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			7.05640e+01
Coefficient B			6.77100e-01
Coefficient C			-2.66520e-04
Coefficient D			1.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.58	J/mol×K	273.00	Calculated Property
Cp,gas	276.82	J/mol×K	353.78	Calculated Property
Cp,gas	314.61	J/mol×K	434.56	Calculated Property
Cp,gas	348.95	J/mol×K	515.33	Calculated Property
Cp,gas	379.84	J/mol×K	596.11	Calculated Property
Cp,gas	407.30	J/mol×K	676.89	Calculated Property
Cp,gas	431.32	J/mol×K	757.67	Calculated Property
Cp,gas	451.92	J/mol×K	838.44	Calculated Property
Cp,gas	469.09	J/mol×K	919.22	Calculated Property
Cp,gas	482.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009377; 0.0000670]	Pa×s	[419.04; 613.46]	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			-1.52991e+01
Coefficient B			3.48935e+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.			419.04
Temperature range, max.			613.46
η	0.0009377	Pa×s	419.04	Calculated Property
η	0.0006234	Pa×s	440.64	Calculated Property
η	0.0004306	Pa×s	462.24	Calculated Property
η	0.0003074	Pa×s	483.85	Calculated Property
η	0.0002258	Pa×s	505.45	Calculated Property
η	0.0001702	Pa×s	527.05	Calculated Property
η	0.0001311	Pa×s	548.65	Calculated Property
η	0.0001031	Pa×s	570.26	Calculated Property
η	0.0000824	Pa×s	591.86	Calculated Property
η	0.0000670	Pa×s	613.46	Calculated Property

Similar Compounds

Find more compounds similar to Diethylene glycol, mono-(2,5-dichlorophenyl) ether.

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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