Chemical Properties of Hexanedioyl dichloride (CAS 111-50-2)

InChI

InChI=1S/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2

InChI Key

PWAXUOGZOSVGBO-UHFFFAOYSA-N

Formula

C6H8Cl2O2

SMILES

O=C(Cl)CCCCC(=O)Cl

Molecular Weight¹

183.03

CAS

111-50-2

Other Names

• Adipoyl chloride
• Adipic acid dichloride
• Adipic dichloride
• Adipoyl dichloride
• Adipyl chloride
• Hexanedioyl chloride
• 1,4-Bis(Chlorocarbonyl)butane

• 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).
• 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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.42; 323.45]	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			3.79340e+01
Coefficient B			5.31400e-01
Coefficient C			-3.06000e-04
Coefficient D			6.01200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.42	J/mol×K	273.00	Calculated Property
Cp,gas	190.29	J/mol×K	353.78	Calculated Property
Cp,gas	216.01	J/mol×K	434.56	Calculated Property
Cp,gas	238.75	J/mol×K	515.33	Calculated Property
Cp,gas	258.71	J/mol×K	596.11	Calculated Property
Cp,gas	276.08	J/mol×K	676.89	Calculated Property
Cp,gas	291.04	J/mol×K	757.67	Calculated Property
Cp,gas	303.80	J/mol×K	838.44	Calculated Property
Cp,gas	314.54	J/mol×K	919.22	Calculated Property
Cp,gas	323.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032730; 0.0004412]	Pa×s	[317.08; 504.51]	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			-1.11163e+01
Coefficient B			1.71042e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			317.08
Temperature range, max.			504.51
η	0.0032730	Pa×s	317.08	Calculated Property
η	0.0023473	Pa×s	337.91	Calculated Property
η	0.0017496	Pa×s	358.73	Calculated Property
η	0.0013469	Pa×s	379.56	Calculated Property
η	0.0010654	Pa×s	400.38	Calculated Property
η	0.0008626	Pa×s	421.21	Calculated Property
η	0.0007124	Pa×s	442.03	Calculated Property
η	0.0005985	Pa×s	462.86	Calculated Property
η	0.0005105	Pa×s	483.69	Calculated Property
η	0.0004412	Pa×s	504.51	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioyl dichloride.

Sources

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

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