Chemical Properties of Adipic acid, di(3,3-dimethylbut-2-yl) ester

InChI

InChI=1S/C18H34O4/c1-13(17(3,4)5)21-15(19)11-9-10-12-16(20)22-14(2)18(6,7)8/h13-14H,9-12H2,1-8H3

InChI Key

LIIWLPQEOZDNDG-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CC(OC(=O)CCCCC(=O)OC(C)C(C)(C)C)C(C)(C)C

Molecular Weight¹

314.47

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[416.46; 968.19]	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			-1.49660e+01
Coefficient B			1.86776e+00
Coefficient C			-1.11620e-03
Coefficient D			2.31600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	416.46	J/mol×K	273.00	Calculated Property
Cp,gas	516.36	J/mol×K	353.78	Calculated Property
Cp,gas	604.90	J/mol×K	434.56	Calculated Property
Cp,gas	682.82	J/mol×K	515.33	Calculated Property
Cp,gas	750.85	J/mol×K	596.11	Calculated Property
Cp,gas	809.71	J/mol×K	676.89	Calculated Property
Cp,gas	860.14	J/mol×K	757.67	Calculated Property
Cp,gas	902.88	J/mol×K	838.44	Calculated Property
Cp,gas	938.65	J/mol×K	919.22	Calculated Property
Cp,gas	968.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042812; 0.0000623]	Pa×s	[352.12; 635.40]	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			-1.49431e+01
Coefficient B			3.34148e+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.			352.12
Temperature range, max.			635.40
η	0.0042812	Pa×s	352.12	Calculated Property
η	0.0019652	Pa×s	383.60	Calculated Property
η	0.0010151	Pa×s	415.07	Calculated Property
η	0.0005755	Pa×s	446.55	Calculated Property
η	0.0003516	Pa×s	478.02	Calculated Property
η	0.0002283	Pa×s	509.50	Calculated Property
η	0.0001559	Pa×s	540.97	Calculated Property
η	0.0001110	Pa×s	572.45	Calculated Property
η	0.0000819	Pa×s	603.93	Calculated Property
η	0.0000623	Pa×s	635.40	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, di(3,3-dimethylbut-2-yl) ester.

Sources

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

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