Chemical Properties of Sebacic acid, 3-methylphenyl tridecyl ester

InChI

InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-13-16-19-25-33-29(31)23-17-14-11-12-15-18-24-30(32)34-28-22-20-21-27(2)26-28/h20-22,26H,3-19,23-25H2,1-2H3

InChI Key

UEPPWVODQUMDON-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1cccc(C)c1

Molecular Weight¹

474.72

• 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).
• 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).
• 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 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	[619.86; 1461.71]	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			6.83000e+00
Coefficient B			2.60584e+00
Coefficient C			-1.38316e-03
Coefficient D			2.32200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	619.86	J/mol×K	273.00	Calculated Property
Cp,gas	765.89	J/mol×K	353.78	Calculated Property
Cp,gas	897.07	J/mol×K	434.56	Calculated Property
Cp,gas	1014.16	J/mol×K	515.33	Calculated Property
Cp,gas	1117.88	J/mol×K	596.11	Calculated Property
Cp,gas	1208.97	J/mol×K	676.89	Calculated Property
Cp,gas	1288.17	J/mol×K	757.67	Calculated Property
Cp,gas	1356.20	J/mol×K	838.44	Calculated Property
Cp,gas	1413.80	J/mol×K	919.22	Calculated Property
Cp,gas	1461.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002468; 0.0000165]	Pa×s	[551.46; 893.45]	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			-1.53733e+01
Coefficient B			3.89684e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			551.46
Temperature range, max.			893.45
η	0.0002468	Pa×s	551.46	Calculated Property
η	0.0001565	Pa×s	589.46	Calculated Property
η	0.0001049	Pa×s	627.46	Calculated Property
η	0.0000736	Pa×s	665.46	Calculated Property
η	0.0000536	Pa×s	703.46	Calculated Property
η	0.0000404	Pa×s	741.45	Calculated Property
η	0.0000312	Pa×s	779.45	Calculated Property
η	0.0000248	Pa×s	817.45	Calculated Property
η	0.0000200	Pa×s	855.45	Calculated Property
η	0.0000165	Pa×s	893.45	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-methylphenyl tridecyl ester.

Sources

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

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