Chemical Properties of 6-Chlorohexanoyl chloride

InChI

InChI=1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2

InChI Key

WZILXAPNPKMOSA-UHFFFAOYSA-N

Formula

C6H10Cl2O

SMILES

O=C(Cl)CCCCCCl

Molecular Weight¹

169.05

Other Names

• Hexanoyl chloride, 6-chloro-

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (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 Pressure, Critical Volume, 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	[160.50; 334.44]	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			3.05750e+01
Coefficient B			5.59400e-01
Coefficient C			-3.24700e-04
Coefficient D			6.91600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.50	J/mol×K	273.00	Calculated Property
Cp,gas	190.90	J/mol×K	353.78	Calculated Property
Cp,gas	218.02	J/mol×K	434.56	Calculated Property
Cp,gas	242.09	J/mol×K	515.33	Calculated Property
Cp,gas	263.31	J/mol×K	596.11	Calculated Property
Cp,gas	281.91	J/mol×K	676.89	Calculated Property
Cp,gas	298.10	J/mol×K	757.67	Calculated Property
Cp,gas	312.10	J/mol×K	838.44	Calculated Property
Cp,gas	324.14	J/mol×K	919.22	Calculated Property
Cp,gas	334.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038339; 0.0003853]	Pa×s	[267.15; 459.98]	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			-1.10448e+01
Coefficient B			1.46423e+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.			267.15
Temperature range, max.			459.98
η	0.0038339	Pa×s	267.15	Calculated Property
η	0.0025522	Pa×s	288.58	Calculated Property
η	0.0017972	Pa×s	310.00	Calculated Property
η	0.0013243	Pa×s	331.43	Calculated Property
η	0.0010127	Pa×s	352.85	Calculated Property
η	0.0007986	Pa×s	374.28	Calculated Property
η	0.0006461	Pa×s	395.70	Calculated Property
η	0.0005343	Pa×s	417.13	Calculated Property
η	0.0004501	Pa×s	438.56	Calculated Property
η	0.0003853	Pa×s	459.98	Calculated Property

Similar Compounds

Find more compounds similar to 6-Chlorohexanoyl chloride.

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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