Chemical Properties of Sebacic acid, ethyl 3-phenylpropyl ester

InChI

InChI=1S/C21H32O4/c1-2-24-20(22)16-10-5-3-4-6-11-17-21(23)25-18-12-15-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3

InChI Key

FZGPZDXDSUTZSC-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCOC(=O)CCCCCCCCC(=O)OCCCc1ccccc1

Molecular Weight¹

348.48

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[426.39; 1000.43]	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			7.12000e-01
Coefficient B			1.81032e+00
Coefficient C			-9.60600e-04
Coefficient D			1.50000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	426.39	J/mol×K	273.00	Calculated Property
Cp,gas	527.58	J/mol×K	353.78	Calculated Property
Cp,gas	618.31	J/mol×K	434.56	Calculated Property
Cp,gas	699.05	J/mol×K	515.33	Calculated Property
Cp,gas	770.29	J/mol×K	596.11	Calculated Property
Cp,gas	832.49	J/mol×K	676.89	Calculated Property
Cp,gas	886.13	J/mol×K	757.67	Calculated Property
Cp,gas	931.69	J/mol×K	838.44	Calculated Property
Cp,gas	969.63	J/mol×K	919.22	Calculated Property
Cp,gas	1000.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010094; 0.0000655]	Pa×s	[437.51; 712.56]	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			-1.39854e+01
Coefficient B			3.10066e+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.			437.51
Temperature range, max.			712.56
η	0.0010094	Pa×s	437.51	Calculated Property
η	0.0006355	Pa×s	468.07	Calculated Property
η	0.0004234	Pa×s	498.63	Calculated Property
η	0.0002957	Pa×s	529.19	Calculated Property
η	0.0002147	Pa×s	559.76	Calculated Property
η	0.0001612	Pa×s	590.32	Calculated Property
η	0.0001245	Pa×s	620.88	Calculated Property
η	0.0000985	Pa×s	651.44	Calculated Property
η	0.0000796	Pa×s	682.00	Calculated Property
η	0.0000655	Pa×s	712.56	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 3-phenylpropyl ester.

Sources

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

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