Chemical Properties of Pentanedioic acid, 3,3-dimethyl-, dimethyl ester

InChI

InChI=1S/C9H16O4/c1-9(2,5-7(10)12-3)6-8(11)13-4/h5-6H2,1-4H3

InChI Key

NPEAPWIQJBAJIO-UHFFFAOYSA-N

Formula

C9H16O4

SMILES

COC(=O)CC(C)(C)CC(=O)OC

Molecular Weight¹

188.22

Other Names

• Glutaric acid, 3,3-dimethyl-, dimethyl ester
• Methyl 3,3-dimethylglutarate

• 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_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

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.62; 501.33]	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			2.10520e+01
Coefficient B			8.75080e-01
Coefficient C			-4.48400e-04
Coefficient D			5.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.62	J/mol×K	273.00	Calculated Property
Cp,gas	276.89	J/mol×K	353.78	Calculated Property
Cp,gas	321.05	J/mol×K	434.56	Calculated Property
Cp,gas	360.26	J/mol×K	515.33	Calculated Property
Cp,gas	394.71	J/mol×K	596.11	Calculated Property
Cp,gas	424.56	J/mol×K	676.89	Calculated Property
Cp,gas	449.98	J/mol×K	757.67	Calculated Property
Cp,gas	471.13	J/mol×K	838.44	Calculated Property
Cp,gas	488.19	J/mol×K	919.22	Calculated Property
Cp,gas	501.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064936; 0.0002133]	Pa×s	[278.27; 493.79]	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			-1.28634e+01
Coefficient B			2.17786e+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.			278.27
Temperature range, max.			493.79
η	0.0064936	Pa×s	278.27	Calculated Property
η	0.0034927	Pa×s	302.22	Calculated Property
η	0.0020577	Pa×s	326.16	Calculated Property
η	0.0013033	Pa×s	350.11	Calculated Property
η	0.0008752	Pa×s	374.06	Calculated Property
η	0.0006165	Pa×s	398.00	Calculated Property
η	0.0004519	Pa×s	421.95	Calculated Property
η	0.0003425	Pa×s	445.90	Calculated Property
η	0.0002670	Pa×s	469.84	Calculated Property
η	0.0002133	Pa×s	493.79	Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid, 3,3-dimethyl-, dimethyl ester.

Sources

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

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