Chemical Properties of PENTANEDIOIC ACID, 2-ACETYL-, DIETHYL ESTER

InChI

InChI=1S/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3

InChI Key

NNOGMCQLKMLNPL-UHFFFAOYSA-N

Formula

C11H18O5

SMILES

CCOC(=O)CCC(C(C)=O)C(=O)OCC

Molecular Weight¹

230.26

Other Names

• Diethyl «alpha»-acetoglutarate
• Diethyl «alpha»-acetylglutarate
• 2-Acetylglutaric acid, diethyl ester

• 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

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[427.20; 443.00]	K	[1.50; 2.90]
Tboilr	427.20	K	1.50	NIST
Tboilr	435.00	K	1.50	NIST
Tboilr	443.00 ± 1.00	K	2.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.12; 592.60]	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			4.93840e+01
Coefficient B			9.17160e-01
Coefficient C			-3.69900e-04
Coefficient D			-4.04000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.12	J/mol×K	273.00	Calculated Property
Cp,gas	327.38	J/mol×K	353.78	Calculated Property
Cp,gas	377.76	J/mol×K	434.56	Calculated Property
Cp,gas	423.24	J/mol×K	515.33	Calculated Property
Cp,gas	463.81	J/mol×K	596.11	Calculated Property
Cp,gas	499.47	J/mol×K	676.89	Calculated Property
Cp,gas	530.18	J/mol×K	757.67	Calculated Property
Cp,gas	555.95	J/mol×K	838.44	Calculated Property
Cp,gas	576.77	J/mol×K	919.22	Calculated Property
Cp,gas	592.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037667; 0.0001959]	Pa×s	[333.32; 563.94]	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			-1.28108e+01
Coefficient B			2.40965e+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.			333.32
Temperature range, max.			563.94
η	0.0037667	Pa×s	333.32	Calculated Property
η	0.0022482	Pa×s	358.94	Calculated Property
η	0.0014374	Pa×s	384.57	Calculated Property
η	0.0009718	Pa×s	410.19	Calculated Property
η	0.0006880	Pa×s	435.82	Calculated Property
η	0.0005061	Pa×s	461.44	Calculated Property
η	0.0003845	Pa×s	487.07	Calculated Property
η	0.0003003	Pa×s	512.69	Calculated Property
η	0.0002401	Pa×s	538.32	Calculated Property
η	0.0001959	Pa×s	563.94	Calculated Property

Similar Compounds

Find more compounds similar to PENTANEDIOIC ACID, 2-ACETYL-, DIETHYL ESTER.

Sources

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

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