Chemical Properties of Sebacic acid, 3-phenylallyl propyl ester

InChI

InChI=1S/C22H32O4/c1-2-18-25-21(23)16-10-5-3-4-6-11-17-22(24)26-19-12-15-20-13-8-7-9-14-20/h7-9,12-15H,2-6,10-11,16-19H2,1H3/b15-12+

InChI Key

KRBXQYHJJKGMSK-NTCAYCPXSA-N

Formula

C22H32O4

SMILES

CCCOC(=O)CCCCCCCCC(=O)OCC=Cc1ccccc1

Molecular Weight¹

360.49

• 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).
• 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).
• 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 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	[433.60; 1021.44]	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			-1.43790e+01
Coefficient B			1.92532e+00
Coefficient C			-1.09880e-03
Coefficient D			2.09300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.60	J/mol×K	273.00	Calculated Property
Cp,gas	538.50	J/mol×K	353.78	Calculated Property
Cp,gas	631.96	J/mol×K	434.56	Calculated Property
Cp,gas	714.64	J/mol×K	515.33	Calculated Property
Cp,gas	787.20	J/mol×K	596.11	Calculated Property
Cp,gas	850.31	J/mol×K	676.89	Calculated Property
Cp,gas	904.63	J/mol×K	757.67	Calculated Property
Cp,gas	950.82	J/mol×K	838.44	Calculated Property
Cp,gas	989.53	J/mol×K	919.22	Calculated Property
Cp,gas	1021.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008337; 0.0000491]	Pa×s	[443.70; 734.88]	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			-1.42365e+01
Coefficient B			3.17106e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			443.70
Temperature range, max.			734.88
η	0.0008337	Pa×s	443.70	Calculated Property
η	0.0005129	Pa×s	476.05	Calculated Property
η	0.0003357	Pa×s	508.41	Calculated Property
η	0.0002311	Pa×s	540.76	Calculated Property
η	0.0001660	Pa×s	573.11	Calculated Property
η	0.0001235	Pa×s	605.47	Calculated Property
η	0.0000947	Pa×s	637.82	Calculated Property
η	0.0000745	Pa×s	670.17	Calculated Property
η	0.0000599	Pa×s	702.53	Calculated Property
η	0.0000491	Pa×s	734.88	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-phenylallyl propyl ester.

Sources

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

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