Chemical Properties of Hexanedioic acid monochloride monomethyl ester (CAS 35444-44-1)

InChI

InChI=1S/C7H11ClO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3

InChI Key

HDLGIEZOMYJKAK-UHFFFAOYSA-N

Formula

C7H11ClO3

SMILES

COC(=O)CCCCC(=O)Cl

Molecular Weight¹

178.61

CAS

35444-44-1

Other Names

• Methyl adipyl chloride
• Methyl 5-(chloroformyl)pentanoate
• Hexanoic acid, 6-chloro-6-oxo-, methyl ester
• methyl 6-chloro-6-oxohexanoate

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.65; 385.86]	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			4.21840e+01
Coefficient B			5.92820e-01
Coefficient C			-2.64100e-04
Coefficient D			1.49600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.65	J/mol×K	273.00	Calculated Property
Cp,gas	219.52	J/mol×K	353.78	Calculated Property
Cp,gas	251.15	J/mol×K	434.56	Calculated Property
Cp,gas	279.59	J/mol×K	515.33	Calculated Property
Cp,gas	304.89	J/mol×K	596.11	Calculated Property
Cp,gas	327.09	J/mol×K	676.89	Calculated Property
Cp,gas	346.24	J/mol×K	757.67	Calculated Property
Cp,gas	362.39	J/mol×K	838.44	Calculated Property
Cp,gas	375.58	J/mol×K	919.22	Calculated Property
Cp,gas	385.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038782; 0.0003262]	Pa×s	[290.83; 488.97]	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			-1.16618e+01
Coefficient B			1.77679e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			290.83
Temperature range, max.			488.97
η	0.0038782	Pa×s	290.83	Calculated Property
η	0.0025230	Pa×s	312.85	Calculated Property
η	0.0017368	Pa×s	334.86	Calculated Property
η	0.0012519	Pa×s	356.88	Calculated Property
η	0.0009375	Pa×s	378.89	Calculated Property
η	0.0007246	Pa×s	400.91	Calculated Property
η	0.0005753	Pa×s	422.92	Calculated Property
η	0.0004673	Pa×s	444.94	Calculated Property
η	0.0003871	Pa×s	466.96	Calculated Property
η	0.0003262	Pa×s	488.97	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid monochloride monomethyl ester.

Sources

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

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