Chemical Properties of Adipic acid, 2,3-dimethylphenyl isobutyl ester

InChI

InChI=1S/C18H26O4/c1-13(2)12-21-17(19)10-5-6-11-18(20)22-16-9-7-8-14(3)15(16)4/h7-9,13H,5-6,10-12H2,1-4H3

InChI Key

WLAAZWPBTZUWOS-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

Cc1cccc(OC(=O)CCCCC(=O)OCC(C)C)c1C

Molecular Weight¹

306.40

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

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[367.53; 840.12]	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			3.03550e+01
Coefficient B			1.41228e+00
Coefficient C			-6.66520e-04
Coefficient D			6.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.53	J/mol×K	273.00	Calculated Property
Cp,gas	449.40	J/mol×K	353.78	Calculated Property
Cp,gas	523.46	J/mol×K	434.56	Calculated Property
Cp,gas	589.90	J/mol×K	515.33	Calculated Property
Cp,gas	648.94	J/mol×K	596.11	Calculated Property
Cp,gas	700.78	J/mol×K	676.89	Calculated Property
Cp,gas	745.61	J/mol×K	757.67	Calculated Property
Cp,gas	783.64	J/mol×K	838.44	Calculated Property
Cp,gas	815.07	J/mol×K	919.22	Calculated Property
Cp,gas	840.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011049; 0.0000847]	Pa×s	[413.74; 673.75]	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			-1.34631e+01
Coefficient B			2.75348e+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.			413.74
Temperature range, max.			673.75
η	0.0011049	Pa×s	413.74	Calculated Property
η	0.0007156	Pa×s	442.63	Calculated Property
η	0.0004888	Pa×s	471.52	Calculated Property
η	0.0003489	Pa×s	500.41	Calculated Property
η	0.0002584	Pa×s	529.30	Calculated Property
η	0.0001974	Pa×s	558.19	Calculated Property
η	0.0001549	Pa×s	587.08	Calculated Property
η	0.0001243	Pa×s	615.97	Calculated Property
η	0.0001017	Pa×s	644.86	Calculated Property
η	0.0000847	Pa×s	673.75	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2,3-dimethylphenyl isobutyl 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.