Chemical Properties of Hexanedioic acid, monomethyl ester

InChI

InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)

InChI Key

UOBSVARXACCLLH-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

COC(=O)CCCCC(=O)O

Molecular Weight¹

160.17

Other Names

• 5-Carbomethoxypentanoic acid
• 6-Methoxy-6-oxohexanoic acid
• Hexanedioic acid, 1-methyl ester
• Methyl hemiadipate
• NSC 55113
• NSC 9389
• adipic acid, monomethyl ester
• methyl 5-carboxypentanoate
• methyl adipate
• methyl hydrogen adipate
• monomethyl adipate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_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

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.94; 399.35]	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			2.65340e+01
Coefficient B			6.64820e-01
Coefficient C			-3.35000e-04
Coefficient D			4.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.94	J/mol×K	273.00	Calculated Property
Cp,gas	221.71	J/mol×K	353.78	Calculated Property
Cp,gas	255.70	J/mol×K	434.56	Calculated Property
Cp,gas	286.06	J/mol×K	515.33	Calculated Property
Cp,gas	312.91	J/mol×K	596.11	Calculated Property
Cp,gas	336.39	J/mol×K	676.89	Calculated Property
Cp,gas	356.64	J/mol×K	757.67	Calculated Property
Cp,gas	373.79	J/mol×K	838.44	Calculated Property
Cp,gas	387.99	J/mol×K	919.22	Calculated Property
Cp,gas	399.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015691; 0.0002863]	Pa×s	[371.58; 528.56]	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			-1.21848e+01
Coefficient B			2.12822e+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.			371.58
Temperature range, max.			528.56
η	0.0015691	Pa×s	371.58	Calculated Property
η	0.0012137	Pa×s	389.02	Calculated Property
η	0.0009598	Pa×s	406.46	Calculated Property
η	0.0007737	Pa×s	423.91	Calculated Property
η	0.0006345	Pa×s	441.35	Calculated Property
η	0.0005282	Pa×s	458.79	Calculated Property
η	0.0004457	Pa×s	476.23	Calculated Property
η	0.0003806	Pa×s	493.67	Calculated Property
η	0.0003285	Pa×s	511.12	Calculated Property
η	0.0002863	Pa×s	528.56	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, monomethyl ester.

Mixtures

• Hexanedioic acid, dimethyl ester + Hexanedioic acid, monomethyl ester + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid liquid equilibria of aqueous mixtures containing selected dibasic esters and/or methanol
• Joback Method
• McGowan Method
• NIST Webbook

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