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

InChI

InChI=1S/C9H16O5/c1-4-9(12,5-7(10)13-2)6-8(11)14-3/h12H,4-6H2,1-3H3

InChI Key

OPEYCEQEAPLEOV-UHFFFAOYSA-N

Formula

C9H16O5

SMILES

CCC(O)(CC(=O)OC)CC(=O)OC

Molecular Weight¹

204.22

• 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).
• I_np : Non-polar retention indices.
• 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	[240.12; 520.00]	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			2.63430e+01
Coefficient B			9.09060e-01
Coefficient C			-4.78800e-04
Coefficient D			6.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.12	J/mol×K	273.00	Calculated Property
Cp,gas	290.83	J/mol×K	353.78	Calculated Property
Cp,gas	336.17	J/mol×K	434.56	Calculated Property
Cp,gas	376.33	J/mol×K	515.33	Calculated Property
Cp,gas	411.53	J/mol×K	596.11	Calculated Property
Cp,gas	441.96	J/mol×K	676.89	Calculated Property
Cp,gas	467.82	J/mol×K	757.67	Calculated Property
Cp,gas	489.32	J/mol×K	838.44	Calculated Property
Cp,gas	506.64	J/mol×K	919.22	Calculated Property
Cp,gas	520.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0080270; 0.0000949]	Pa×s	[339.09; 552.39]	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			-1.63188e+01
Coefficient B			3.89745e+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.			339.09
Temperature range, max.			552.39
η	0.0080270	Pa×s	339.09	Calculated Property
η	0.0037885	Pa×s	362.79	Calculated Property
η	0.0019605	Pa×s	386.49	Calculated Property
η	0.0010948	Pa×s	410.19	Calculated Property
η	0.0006515	Pa×s	433.89	Calculated Property
η	0.0004092	Pa×s	457.59	Calculated Property
η	0.0002690	Pa×s	481.29	Calculated Property
η	0.0001839	Pa×s	504.99	Calculated Property
η	0.0001301	Pa×s	528.69	Calculated Property
η	0.0000949	Pa×s	552.39	Calculated Property

Similar Compounds

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

Sources

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

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