Chemical Properties of Sebacic acid, heptyl 1-phenylpropyl ester

InChI

InChI=1S/C26H42O4/c1-3-5-6-11-17-22-29-25(27)20-15-9-7-8-10-16-21-26(28)30-24(4-2)23-18-13-12-14-19-23/h12-14,18-19,24H,3-11,15-17,20-22H2,1-2H3

InChI Key

KAFYOGQIFIUKIQ-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

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

Molecular Weight¹

418.62

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[532.14; 1258.93]	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			-5.51500e+00
Coefficient B			2.29124e+00
Coefficient C			-1.23580e-03
Coefficient D			2.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	532.14	J/mol×K	273.00	Calculated Property
Cp,gas	659.66	J/mol×K	353.78	Calculated Property
Cp,gas	773.94	J/mol×K	434.56	Calculated Property
Cp,gas	875.65	J/mol×K	515.33	Calculated Property
Cp,gas	965.45	J/mol×K	596.11	Calculated Property
Cp,gas	1044.00	J/mol×K	676.89	Calculated Property
Cp,gas	1111.96	J/mol×K	757.67	Calculated Property
Cp,gas	1170.00	J/mol×K	838.44	Calculated Property
Cp,gas	1218.76	J/mol×K	919.22	Calculated Property
Cp,gas	1258.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006151; 0.0000293]	Pa×s	[478.86; 803.15]	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			-1.49310e+01
Coefficient B			3.60928e+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.			478.86
Temperature range, max.			803.15
η	0.0006151	Pa×s	478.86	Calculated Property
η	0.0003629	Pa×s	514.89	Calculated Property
η	0.0002295	Pa×s	550.92	Calculated Property
η	0.0001535	Pa×s	586.96	Calculated Property
η	0.0001075	Pa×s	622.99	Calculated Property
η	0.0000784	Pa×s	659.02	Calculated Property
η	0.0000590	Pa×s	695.05	Calculated Property
η	0.0000457	Pa×s	731.09	Calculated Property
η	0.0000362	Pa×s	767.12	Calculated Property
η	0.0000293	Pa×s	803.15	Calculated Property

Similar Compounds

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

Sources

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

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