Chemical Properties of 1,4-Dioxane, 2,3-dichloro-

InChI

InChI=1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2

InChI Key

ZOZUXFQYIYUIND-UHFFFAOYSA-N

Formula

C4H6Cl2O2

SMILES

ClC1OCCOC1Cl

Molecular Weight¹

157.00

Other Names

• 2,3-Dichloro-1,4-dioxane
• 2,3-Dichloro-p-dioxane
• p-Dioxane, 2,3-dichloro-

• 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).
• IE : Ionization energy (eV).
• 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, 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	[116.01; 273.01]	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			1.00000e-02
Coefficient B			4.87000e-01
Coefficient C			-2.32400e-04
Coefficient D			1.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	116.01	J/mol×K	273.00	Calculated Property
Cp,gas	144.03	J/mol×K	353.78	Calculated Property
Cp,gas	169.26	J/mol×K	434.56	Calculated Property
Cp,gas	191.78	J/mol×K	515.33	Calculated Property
Cp,gas	211.63	J/mol×K	596.11	Calculated Property
Cp,gas	228.88	J/mol×K	676.89	Calculated Property
Cp,gas	243.59	J/mol×K	757.67	Calculated Property
Cp,gas	255.80	J/mol×K	838.44	Calculated Property
Cp,gas	265.59	J/mol×K	919.22	Calculated Property
Cp,gas	273.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018596; 0.0003978]	Pa×s	[303.15; 461.95]	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			-1.07738e+01
Coefficient B			1.36004e+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.			303.15
Temperature range, max.			461.95
η	0.0018596	Pa×s	303.15	Calculated Property
η	0.0014529	Pa×s	320.79	Calculated Property
η	0.0011648	Pa×s	338.44	Calculated Property
η	0.0009545	Pa×s	356.08	Calculated Property
η	0.0007970	Pa×s	373.73	Calculated Property
η	0.0006764	Pa×s	391.37	Calculated Property
η	0.0005822	Pa×s	409.02	Calculated Property
η	0.0005074	Pa×s	426.66	Calculated Property
η	0.0004471	Pa×s	444.30	Calculated Property
η	0.0003978	Pa×s	461.95	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dioxane, 2,3-dichloro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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