Chemical Properties of Sebacic acid, butyl 2-chloropropyl ester

InChI

InChI=1S/C17H31ClO4/c1-3-4-13-21-16(19)11-9-7-5-6-8-10-12-17(20)22-14-15(2)18/h15H,3-14H2,1-2H3

InChI Key

PFQZJHMPZXRJHT-UHFFFAOYSA-N

Formula

C17H31ClO4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCC(C)Cl

Molecular Weight¹

334.88

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.88; 921.40]	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			4.94620e+01
Coefficient B			1.52194e+00
Coefficient C			-7.35400e-04
Coefficient D			8.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	411.88	J/mol×K	273.00	Calculated Property
Cp,gas	499.63	J/mol×K	353.78	Calculated Property
Cp,gas	578.97	J/mol×K	434.56	Calculated Property
Cp,gas	650.16	J/mol×K	515.33	Calculated Property
Cp,gas	713.47	J/mol×K	596.11	Calculated Property
Cp,gas	769.19	J/mol×K	676.89	Calculated Property
Cp,gas	817.57	J/mol×K	757.67	Calculated Property
Cp,gas	858.88	J/mol×K	838.44	Calculated Property
Cp,gas	893.40	J/mol×K	919.22	Calculated Property
Cp,gas	921.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021102; 0.0000938]	Pa×s	[380.93; 644.48]	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			-1.37732e+01
Coefficient B			2.89974e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			380.93
Temperature range, max.			644.48
η	0.0021102	Pa×s	380.93	Calculated Property
η	0.0012256	Pa×s	410.21	Calculated Property
η	0.0007652	Pa×s	439.50	Calculated Property
η	0.0005067	Pa×s	468.78	Calculated Property
η	0.0003522	Pa×s	498.06	Calculated Property
η	0.0002549	Pa×s	527.35	Calculated Property
η	0.0001909	Pa×s	556.63	Calculated Property
η	0.0001471	Pa×s	585.92	Calculated Property
η	0.0001163	Pa×s	615.20	Calculated Property
η	0.0000938	Pa×s	644.48	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 2-chloropropyl ester.

Sources

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

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