Chemical Properties of Sebacic acid, 2-phenylphenyl propyl ester

InChI

InChI=1S/C25H32O4/c1-2-20-28-24(26)18-10-5-3-4-6-11-19-25(27)29-23-17-13-12-16-22(23)21-14-8-7-9-15-21/h7-9,12-17H,2-6,10-11,18-20H2,1H3

InChI Key

KFSJJLARRXPDTO-UHFFFAOYSA-N

Formula

C25H32O4

SMILES

CCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

396.52

• 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	[456.54; 1085.23]	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			-2.25300e+01
Coefficient B			2.05192e+00
Coefficient C			-1.14236e-03
Coefficient D			1.98200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	456.54	J/mol×K	273.00	Calculated Property
Cp,gas	569.19	J/mol×K	353.78	Calculated Property
Cp,gas	669.69	J/mol×K	434.56	Calculated Property
Cp,gas	758.64	J/mol×K	515.33	Calculated Property
Cp,gas	836.69	J/mol×K	596.11	Calculated Property
Cp,gas	904.46	J/mol×K	676.89	Calculated Property
Cp,gas	962.57	J/mol×K	757.67	Calculated Property
Cp,gas	1011.65	J/mol×K	838.44	Calculated Property
Cp,gas	1052.33	J/mol×K	919.22	Calculated Property
Cp,gas	1085.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004061; 0.0000372]	Pa×s	[521.53; 815.46]	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			-1.44423e+01
Coefficient B			3.45946e+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.			521.53
Temperature range, max.			815.46
η	0.0004061	Pa×s	521.53	Calculated Property
η	0.0002747	Pa×s	554.19	Calculated Property
η	0.0001941	Pa×s	586.85	Calculated Property
η	0.0001422	Pa×s	619.51	Calculated Property
η	0.0001075	Pa×s	652.17	Calculated Property
η	0.0000835	Pa×s	684.82	Calculated Property
η	0.0000663	Pa×s	717.48	Calculated Property
η	0.0000538	Pa×s	750.14	Calculated Property
η	0.0000444	Pa×s	782.80	Calculated Property
η	0.0000372	Pa×s	815.46	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-phenylphenyl propyl ester.

Sources

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

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