Chemical Properties of Sebacic acid, hexyl 3-phenylpropyl ester

InChI

InChI=1S/C25H40O4/c1-2-3-4-14-21-28-24(26)19-12-7-5-6-8-13-20-25(27)29-22-15-18-23-16-10-9-11-17-23/h9-11,16-17H,2-8,12-15,18-22H2,1H3

InChI Key

FOKNLCXBWODNGX-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)OCCCc1ccccc1

Molecular Weight¹

404.58

• 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	[511.24; 1206.80]	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			-2.92400e+00
Coefficient B			2.19032e+00
Coefficient C			-1.17820e-03
Coefficient D			1.97600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	511.24	J/mol×K	273.00	Calculated Property
Cp,gas	633.25	J/mol×K	353.78	Calculated Property
Cp,gas	742.62	J/mol×K	434.56	Calculated Property
Cp,gas	839.97	J/mol×K	515.33	Calculated Property
Cp,gas	925.94	J/mol×K	596.11	Calculated Property
Cp,gas	1001.14	J/mol×K	676.89	Calculated Property
Cp,gas	1066.20	J/mol×K	757.67	Calculated Property
Cp,gas	1121.74	J/mol×K	838.44	Calculated Property
Cp,gas	1168.40	J/mol×K	919.22	Calculated Property
Cp,gas	1206.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005952; 0.0000373]	Pa×s	[482.59; 784.11]	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			-1.46321e+01
Coefficient B			3.47730e+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.			482.59
Temperature range, max.			784.11
η	0.0005952	Pa×s	482.59	Calculated Property
η	0.0003728	Pa×s	516.09	Calculated Property
η	0.0002473	Pa×s	549.60	Calculated Property
η	0.0001719	Pa×s	583.10	Calculated Property
η	0.0001243	Pa×s	616.60	Calculated Property
η	0.0000930	Pa×s	650.10	Calculated Property
η	0.0000715	Pa×s	683.61	Calculated Property
η	0.0000564	Pa×s	717.11	Calculated Property
η	0.0000454	Pa×s	750.61	Calculated Property
η	0.0000373	Pa×s	784.11	Calculated Property

Similar Compounds

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

Sources

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

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