Chemical Properties of Sebacic acid, ethyl 1-phenylpropyl ester

InChI

InChI=1S/C21H32O4/c1-3-19(18-14-10-9-11-15-18)25-21(23)17-13-8-6-5-7-12-16-20(22)24-4-2/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3

InChI Key

JIWNPKVYLBSGDU-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCOC(=O)CCCCCCCCC(=O)OC(CC)c1ccccc1

Molecular Weight¹

348.48

• 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	[426.07; 1000.97]	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			-9.70000e-01
Coefficient B			1.81624e+00
Coefficient C			-9.63800e-04
Coefficient D			1.49500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.07	J/mol×K	273.00	Calculated Property
Cp,gas	527.57	J/mol×K	353.78	Calculated Property
Cp,gas	618.55	J/mol×K	434.56	Calculated Property
Cp,gas	699.50	J/mol×K	515.33	Calculated Property
Cp,gas	770.89	J/mol×K	596.11	Calculated Property
Cp,gas	833.20	J/mol×K	676.89	Calculated Property
Cp,gas	886.88	J/mol×K	757.67	Calculated Property
Cp,gas	932.42	J/mol×K	838.44	Calculated Property
Cp,gas	970.30	J/mol×K	919.22	Calculated Property
Cp,gas	1000.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012418; 0.0000601]	Pa×s	[422.51; 713.39]	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			-1.41194e+01
Coefficient B			3.13848e+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.			422.51
Temperature range, max.			713.39
η	0.0012418	Pa×s	422.51	Calculated Property
η	0.0007325	Pa×s	454.83	Calculated Property
η	0.0004634	Pa×s	487.15	Calculated Property
η	0.0003104	Pa×s	519.47	Calculated Property
η	0.0002179	Pa×s	551.79	Calculated Property
η	0.0001590	Pa×s	584.11	Calculated Property
η	0.0001200	Pa×s	616.43	Calculated Property
η	0.0000931	Pa×s	648.75	Calculated Property
η	0.0000740	Pa×s	681.07	Calculated Property
η	0.0000601	Pa×s	713.39	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 1-phenylpropyl ester.

Sources

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

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