Chemical Properties of Hexanedioic acid, monoethyl ester (CAS 626-86-8)

InChI

InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)

InChI Key

UZNLHJCCGYKCIL-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CCOC(=O)CCCCC(=O)O

Molecular Weight¹

174.19

CAS

626-86-8

Other Names

• Adipic acid monoethyl ester
• Monoethyl adipate
• Ethyl hydrogen adipate
• Hexanoic acid, monoethyl ester
• Monoethyladipic acid ester
• Monoethyl hexanedioate

• 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).
• 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.15; 450.95]	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			2.56250e+01
Coefficient B			7.59820e-01
Coefficient C			-3.89400e-04
Coefficient D			5.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.15	J/mol×K	273.00	Calculated Property
Cp,gas	248.13	J/mol×K	353.78	Calculated Property
Cp,gas	286.78	J/mol×K	434.56	Calculated Property
Cp,gas	321.29	J/mol×K	515.33	Calculated Property
Cp,gas	351.82	J/mol×K	596.11	Calculated Property
Cp,gas	378.55	J/mol×K	676.89	Calculated Property
Cp,gas	401.66	J/mol×K	757.67	Calculated Property
Cp,gas	421.31	J/mol×K	838.44	Calculated Property
Cp,gas	437.68	J/mol×K	919.22	Calculated Property
Cp,gas	450.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015110; 0.0002728]	Pa×s	[382.85; 542.97]	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			-1.22998e+01
Coefficient B			2.22238e+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.			382.85
Temperature range, max.			542.97
η	0.0015110	Pa×s	382.85	Calculated Property
η	0.0011676	Pa×s	400.64	Calculated Property
η	0.0009223	Pa×s	418.43	Calculated Property
η	0.0007427	Pa×s	436.22	Calculated Property
η	0.0006083	Pa×s	454.02	Calculated Property
η	0.0005057	Pa×s	471.81	Calculated Property
η	0.0004262	Pa×s	489.60	Calculated Property
η	0.0003635	Pa×s	507.39	Calculated Property
η	0.0003134	Pa×s	525.18	Calculated Property
η	0.0002728	Pa×s	542.97	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, monoethyl ester.

Sources

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

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