Chemical Properties of Sebacic acid, di(2-methylphenyl) ester

InChI

InChI=1S/C24H30O4/c1-19-13-9-11-15-21(19)27-23(25)17-7-5-3-4-6-8-18-24(26)28-22-16-12-10-14-20(22)2/h9-16H,3-8,17-18H2,1-2H3

InChI Key

NNCQCJHUSVFGES-UHFFFAOYSA-N

Formula

C24H30O4

SMILES

Cc1ccccc1OC(=O)CCCCCCCCC(=O)Oc1ccccc1C

Molecular Weight¹

382.49

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[437.87; 1030.60]	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			-7.32200e+00
Coefficient B			1.89744e+00
Coefficient C			-1.02092e-03
Coefficient D			1.61400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	437.87	J/mol×K	273.00	Calculated Property
Cp,gas	543.32	J/mol×K	353.78	Calculated Property
Cp,gas	637.68	J/mol×K	434.56	Calculated Property
Cp,gas	721.46	J/mol×K	515.33	Calculated Property
Cp,gas	795.17	J/mol×K	596.11	Calculated Property
Cp,gas	859.33	J/mol×K	676.89	Calculated Property
Cp,gas	914.44	J/mol×K	757.67	Calculated Property
Cp,gas	961.01	J/mol×K	838.44	Calculated Property
Cp,gas	999.56	J/mol×K	919.22	Calculated Property
Cp,gas	1030.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003913; 0.0000429]	Pa×s	[522.78; 802.65]	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			-1.41853e+01
Coefficient B			3.31404e+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.			522.78
Temperature range, max.			802.65
η	0.0003913	Pa×s	522.78	Calculated Property
η	0.0002741	Pa×s	553.88	Calculated Property
η	0.0001994	Pa×s	584.97	Calculated Property
η	0.0001498	Pa×s	616.07	Calculated Property
η	0.0001157	Pa×s	647.17	Calculated Property
η	0.0000915	Pa×s	678.27	Calculated Property
η	0.0000739	Pa×s	709.36	Calculated Property
η	0.0000607	Pa×s	740.46	Calculated Property
η	0.0000507	Pa×s	771.56	Calculated Property
η	0.0000429	Pa×s	802.65	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2-methylphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.