Chemical Properties of Adipic acid, 2,4-dimethylpent-3-yl tetradecyl ester

InChI

InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25(28)20-17-18-21-26(29)31-27(23(2)3)24(4)5/h23-24,27H,6-22H2,1-5H3

InChI Key

BFILCLQUIFJKIW-UHFFFAOYSA-N

Formula

C27H52O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

440.71

• 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	[609.98; 1430.12]	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			2.41170e+01
Coefficient B			2.47700e+00
Coefficient C			-1.26540e-03
Coefficient D			1.94400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	609.98	J/mol×K	273.00	Calculated Property
Cp,gas	750.66	J/mol×K	353.78	Calculated Property
Cp,gas	877.51	J/mol×K	434.56	Calculated Property
Cp,gas	991.15	J/mol×K	515.33	Calculated Property
Cp,gas	1092.21	J/mol×K	596.11	Calculated Property
Cp,gas	1181.28	J/mol×K	676.89	Calculated Property
Cp,gas	1259.00	J/mol×K	757.67	Calculated Property
Cp,gas	1325.96	J/mol×K	838.44	Calculated Property
Cp,gas	1382.80	J/mol×K	919.22	Calculated Property
Cp,gas	1430.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010849; 0.0000206]	Pa×s	[433.71; 802.07]	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			-1.54626e+01
Coefficient B			3.74566e+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.			433.71
Temperature range, max.			802.07
η	0.0010849	Pa×s	433.71	Calculated Property
η	0.0005152	Pa×s	474.64	Calculated Property
η	0.0002753	Pa×s	515.57	Calculated Property
η	0.0001614	Pa×s	556.50	Calculated Property
η	0.0001018	Pa×s	597.43	Calculated Property
η	0.0000681	Pa×s	638.35	Calculated Property
η	0.0000478	Pa×s	679.28	Calculated Property
η	0.0000349	Pa×s	720.21	Calculated Property
η	0.0000264	Pa×s	761.14	Calculated Property
η	0.0000206	Pa×s	802.07	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2,4-dimethylpent-3-yl tetradecyl ester.

Sources

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

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