Chemical Properties of Sebacic acid, 3,5-dichlorophenyl isobutyl ester

InChI

InChI=1S/C20H28Cl2O4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-12-16(21)11-17(22)13-18/h11-13,15H,3-10,14H2,1-2H3

InChI Key

GSQUOXUEROKAMJ-UHFFFAOYSA-N

Formula

C20H28Cl2O4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc(Cl)cc(Cl)c1

Molecular Weight¹

403.35

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[436.77; 959.84]	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			5.43190e+01
Coefficient B			1.61584e+00
Coefficient C			-8.16120e-04
Coefficient D			1.05800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	436.77	J/mol×K	273.00	Calculated Property
Cp,gas	528.51	J/mol×K	353.78	Calculated Property
Cp,gas	611.06	J/mol×K	434.56	Calculated Property
Cp,gas	684.76	J/mol×K	515.33	Calculated Property
Cp,gas	749.94	J/mol×K	596.11	Calculated Property
Cp,gas	806.95	J/mol×K	676.89	Calculated Property
Cp,gas	856.10	J/mol×K	757.67	Calculated Property
Cp,gas	897.75	J/mol×K	838.44	Calculated Property
Cp,gas	932.21	J/mol×K	919.22	Calculated Property
Cp,gas	959.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005240; 0.0000512]	Pa×s	[496.12; 764.65]	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			-1.41742e+01
Coefficient B			3.28444e+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.			496.12
Temperature range, max.			764.65
η	0.0005240	Pa×s	496.12	Calculated Property
η	0.0003600	Pa×s	525.96	Calculated Property
η	0.0002574	Pa×s	555.79	Calculated Property
η	0.0001905	Pa×s	585.63	Calculated Property
η	0.0001452	Pa×s	615.47	Calculated Property
η	0.0001134	Pa×s	645.30	Calculated Property
η	0.0000906	Pa×s	675.14	Calculated Property
η	0.0000737	Pa×s	704.98	Calculated Property
η	0.0000610	Pa×s	734.81	Calculated Property
η	0.0000512	Pa×s	764.65	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3,5-dichlorophenyl isobutyl ester.

Sources

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

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