Chemical Properties of Sebacic acid, ethyl 2-naphthyl ester

InChI

InChI=1S/C22H28O4/c1-2-25-21(23)13-7-5-3-4-6-8-14-22(24)26-20-16-15-18-11-9-10-12-19(18)17-20/h9-12,15-17H,2-8,13-14H2,1H3

InChI Key

ODTAHMXIURIBSR-UHFFFAOYSA-N

Formula

C22H28O4

SMILES

CCOC(=O)CCCCCCCCC(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

356.46

• 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	[409.16; 958.20]	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			-1.73410e+01
Coefficient B			1.84212e+00
Coefficient C			-1.08468e-03
Coefficient D			2.18100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	409.16	J/mol×K	273.00	Calculated Property
Cp,gas	508.26	J/mol×K	353.78	Calculated Property
Cp,gas	596.23	J/mol×K	434.56	Calculated Property
Cp,gas	673.76	J/mol×K	515.33	Calculated Property
Cp,gas	741.53	J/mol×K	596.11	Calculated Property
Cp,gas	800.23	J/mol×K	676.89	Calculated Property
Cp,gas	850.56	J/mol×K	757.67	Calculated Property
Cp,gas	893.21	J/mol×K	838.44	Calculated Property
Cp,gas	928.86	J/mol×K	919.22	Calculated Property
Cp,gas	958.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007581; 0.0001034]	Pa×s	[494.00; 755.20]	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			-1.29458e+01
Coefficient B			2.84600e+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.			494.00
Temperature range, max.			755.20
η	0.0007581	Pa×s	494.00	Calculated Property
η	0.0005507	Pa×s	523.02	Calculated Property
η	0.0004137	Pa×s	552.05	Calculated Property
η	0.0003198	Pa×s	581.07	Calculated Property
η	0.0002533	Pa×s	610.09	Calculated Property
η	0.0002050	Pa×s	639.11	Calculated Property
η	0.0001689	Pa×s	668.14	Calculated Property
η	0.0001415	Pa×s	697.16	Calculated Property
η	0.0001202	Pa×s	726.18	Calculated Property
η	0.0001034	Pa×s	755.20	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 2-naphthyl ester.

Sources

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

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