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

InChI

InChI=1S/C22H34O4/c1-4-5-6-7-8-11-17-25-21(23)15-9-10-16-22(24)26-20-14-12-13-18(2)19(20)3/h12-14H,4-11,15-17H2,1-3H3

InChI Key

SMGGQSAXCRFDSA-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCCCCCOC(=O)CCCCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

362.51

• 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	[452.70; 1045.94]	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			2.84010e+01
Coefficient B			1.78636e+00
Coefficient C			-8.80920e-04
Coefficient D			1.12100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.70	J/mol×K	273.00	Calculated Property
Cp,gas	555.08	J/mol×K	353.78	Calculated Property
Cp,gas	647.52	J/mol×K	434.56	Calculated Property
Cp,gas	730.37	J/mol×K	515.33	Calculated Property
Cp,gas	803.98	J/mol×K	596.11	Calculated Property
Cp,gas	868.72	J/mol×K	676.89	Calculated Property
Cp,gas	924.92	J/mol×K	757.67	Calculated Property
Cp,gas	972.96	J/mol×K	838.44	Calculated Property
Cp,gas	1013.18	J/mol×K	919.22	Calculated Property
Cp,gas	1045.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005928; 0.0000574]	Pa×s	[473.82; 737.87]	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			-1.39569e+01
Coefficient B			3.09230e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			473.82
Temperature range, max.			737.87
η	0.0005928	Pa×s	473.82	Calculated Property
η	0.0004052	Pa×s	503.16	Calculated Property
η	0.0002888	Pa×s	532.50	Calculated Property
η	0.0002132	Pa×s	561.84	Calculated Property
η	0.0001623	Pa×s	591.18	Calculated Property
η	0.0001267	Pa×s	620.52	Calculated Property
η	0.0001012	Pa×s	649.86	Calculated Property
η	0.0000824	Pa×s	679.20	Calculated Property
η	0.0000682	Pa×s	708.54	Calculated Property
η	0.0000574	Pa×s	737.87	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2,3-dimethylphenyl octyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.