Chemical Properties of Di-(2-ethylbutyl)-2,5-diphenyl adipate (CAS 116435-61-1)

InChI

InChI=1S/C30H42O4/c1-5-23(6-2)21-33-29(31)27(25-15-11-9-12-16-25)19-20-28(26-17-13-10-14-18-26)30(32)34-22-24(7-3)8-4/h9-18,23-24,27-28H,5-8,19-22H2,1-4H3

InChI Key

JYJRMRSDLBQCKK-UHFFFAOYSA-N

Formula

C30H42O4

SMILES

CCC(CC)COC(=O)C(CCC(C(=O)OCC(CC)CC)c1ccccc1)c1ccccc1

Molecular Weight¹

466.65

CAS

116435-61-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[558.80; 1348.38]	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			-4.81020e+01
Coefficient B			2.61008e+00
Coefficient C			-1.49420e-03
Coefficient D			2.80600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	558.80	J/mol×K	273.00	Calculated Property
Cp,gas	700.70	J/mol×K	353.78	Calculated Property
Cp,gas	826.99	J/mol×K	434.56	Calculated Property
Cp,gas	938.55	J/mol×K	515.33	Calculated Property
Cp,gas	1036.27	J/mol×K	596.11	Calculated Property
Cp,gas	1121.05	J/mol×K	676.89	Calculated Property
Cp,gas	1193.76	J/mol×K	757.67	Calculated Property
Cp,gas	1255.29	J/mol×K	838.44	Calculated Property
Cp,gas	1306.53	J/mol×K	919.22	Calculated Property
Cp,gas	1348.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004410; 0.0000120]	Pa×s	[505.36; 903.32]	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			-1.59044e+01
Coefficient B			4.13280e+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.			505.36
Temperature range, max.			903.32
η	0.0004410	Pa×s	505.36	Calculated Property
η	0.0002284	Pa×s	549.58	Calculated Property
η	0.0001305	Pa×s	593.79	Calculated Property
η	0.0000805	Pa×s	638.01	Calculated Property
η	0.0000529	Pa×s	682.23	Calculated Property
η	0.0000366	Pa×s	726.45	Calculated Property
η	0.0000264	Pa×s	770.66	Calculated Property
η	0.0000197	Pa×s	814.88	Calculated Property
η	0.0000152	Pa×s	859.10	Calculated Property
η	0.0000120	Pa×s	903.32	Calculated Property

Similar Compounds

Find more compounds similar to Di-(2-ethylbutyl)-2,5-diphenyl adipate.

Sources

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

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