Chemical Properties of Hexanedioic acid, 2,5-diethyl-, dimethyl ester (CAS 55191-18-9)

InChI

InChI=1S/C12H22O4/c1-5-9(11(13)15-3)7-8-10(6-2)12(14)16-4/h9-10H,5-8H2,1-4H3

InChI Key

MHQZDNUNANBSDM-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

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

Molecular Weight¹

230.30

CAS

55191-18-9

Other Names

• Dimethyl-2,5-diethyladipate

• 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_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	[292.09; 655.71]	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			3.94340e+01
Coefficient B			1.04608e+00
Coefficient C			-4.46200e-04
Coefficient D			1.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.09	J/mol×K	273.00	Calculated Property
Cp,gas	354.39	J/mol×K	353.78	Calculated Property
Cp,gas	411.10	J/mol×K	434.56	Calculated Property
Cp,gas	462.26	J/mol×K	515.33	Calculated Property
Cp,gas	507.93	J/mol×K	596.11	Calculated Property
Cp,gas	548.16	J/mol×K	676.89	Calculated Property
Cp,gas	583.00	J/mol×K	757.67	Calculated Property
Cp,gas	612.51	J/mol×K	838.44	Calculated Property
Cp,gas	636.73	J/mol×K	919.22	Calculated Property
Cp,gas	655.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083572; 0.0001627]	Pa×s	[279.66; 537.68]	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			-1.29926e+01
Coefficient B			2.29544e+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.			279.66
Temperature range, max.			537.68
η	0.0083572	Pa×s	279.66	Calculated Property
η	0.0038959	Pa×s	308.33	Calculated Property
η	0.0020680	Pa×s	337.00	Calculated Property
η	0.0012123	Pa×s	365.67	Calculated Property
η	0.0007681	Pa×s	394.34	Calculated Property
η	0.0005177	Pa×s	423.01	Calculated Property
η	0.0003669	Pa×s	451.68	Calculated Property
η	0.0002709	Pa×s	480.35	Calculated Property
η	0.0002070	Pa×s	509.02	Calculated Property
η	0.0001627	Pa×s	537.68	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, 2,5-diethyl-, dimethyl ester.

Sources

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

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