Chemical Properties of Adipic acid, butyl 3-ethylphenyl ester

InChI

InChI=1S/C18H26O4/c1-3-5-13-21-17(19)11-6-7-12-18(20)22-16-10-8-9-15(4-2)14-16/h8-10,14H,3-7,11-13H2,1-2H3

InChI Key

CMIIQRBCZOUHGG-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCCOC(=O)CCCCC(=O)Oc1cccc(CC)c1

Molecular Weight¹

306.40

• 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	[365.30; 842.62]	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			1.77380e+01
Coefficient B			1.46584e+00
Coefficient C			-7.30360e-04
Coefficient D			8.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	365.30	J/mol×K	273.00	Calculated Property
Cp,gas	448.87	J/mol×K	353.78	Calculated Property
Cp,gas	524.14	J/mol×K	434.56	Calculated Property
Cp,gas	591.41	J/mol×K	515.33	Calculated Property
Cp,gas	650.95	J/mol×K	596.11	Calculated Property
Cp,gas	703.04	J/mol×K	676.89	Calculated Property
Cp,gas	747.97	J/mol×K	757.67	Calculated Property
Cp,gas	786.02	J/mol×K	838.44	Calculated Property
Cp,gas	817.48	J/mol×K	919.22	Calculated Property
Cp,gas	842.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011416; 0.0000930]	Pa×s	[416.22; 668.24]	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			-1.34231e+01
Coefficient B			2.76692e+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.			416.22
Temperature range, max.			668.24
η	0.0011416	Pa×s	416.22	Calculated Property
η	0.0007508	Pa×s	444.22	Calculated Property
η	0.0005189	Pa×s	472.23	Calculated Property
η	0.0003738	Pa×s	500.23	Calculated Property
η	0.0002788	Pa×s	528.23	Calculated Property
η	0.0002142	Pa×s	556.23	Calculated Property
η	0.0001687	Pa×s	584.24	Calculated Property
η	0.0001359	Pa×s	612.24	Calculated Property
η	0.0001115	Pa×s	640.24	Calculated Property
η	0.0000930	Pa×s	668.24	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, butyl 3-ethylphenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.