Chemical Properties of Adipic acid, 3,3-dimethylbut-2-yl ethyl ester

InChI

InChI=1S/C14H26O4/c1-6-17-12(15)9-7-8-10-13(16)18-11(2)14(3,4)5/h11H,6-10H2,1-5H3

InChI Key

OTUGUVYYACOZQL-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

CCOC(=O)CCCCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

258.35

• 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).
• 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, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.37; 759.83]	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			1.48250e+01
Coefficient B			1.35600e+00
Coefficient C			-7.23600e-04
Coefficient D			1.12600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.37	J/mol×K	273.00	Calculated Property
Cp,gas	408.97	J/mol×K	353.78	Calculated Property
Cp,gas	476.68	J/mol×K	434.56	Calculated Property
Cp,gas	536.86	J/mol×K	515.33	Calculated Property
Cp,gas	589.87	J/mol×K	596.11	Calculated Property
Cp,gas	636.07	J/mol×K	676.89	Calculated Property
Cp,gas	675.81	J/mol×K	757.67	Calculated Property
Cp,gas	709.44	J/mol×K	838.44	Calculated Property
Cp,gas	737.33	J/mol×K	919.22	Calculated Property
Cp,gas	759.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051414; 0.0001285]	Pa×s	[319.62; 569.61]	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			-1.36757e+01
Coefficient B			2.68648e+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.			319.62
Temperature range, max.			569.61
η	0.0051414	Pa×s	319.62	Calculated Property
η	0.0026255	Pa×s	347.40	Calculated Property
η	0.0014810	Pa×s	375.17	Calculated Property
η	0.0009041	Pa×s	402.95	Calculated Property
η	0.0005881	Pa×s	430.73	Calculated Property
η	0.0004031	Pa×s	458.50	Calculated Property
η	0.0002884	Pa×s	486.28	Calculated Property
η	0.0002140	Pa×s	514.05	Calculated Property
η	0.0001637	Pa×s	541.83	Calculated Property
η	0.0001285	Pa×s	569.61	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 3,3-dimethylbut-2-yl ethyl ester.

Sources

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

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