Chemical Properties of Sebacic acid, 2-chloropropyl hexyl ester

InChI

InChI=1S/C19H35ClO4/c1-3-4-5-12-15-23-18(21)13-10-8-6-7-9-11-14-19(22)24-16-17(2)20/h17H,3-16H2,1-2H3

InChI Key

SETGDPYEEXRNNK-UHFFFAOYSA-N

Formula

C19H35ClO4

SMILES

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

Molecular Weight¹

362.94

• 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	[454.31; 1024.58]	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			4.76440e+01
Coefficient B			1.71194e+00
Coefficient C			-8.44200e-04
Coefficient D			1.09200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	454.31	J/mol×K	273.00	Calculated Property
Cp,gas	552.47	J/mol×K	353.78	Calculated Property
Cp,gas	641.12	J/mol×K	434.56	Calculated Property
Cp,gas	720.62	J/mol×K	515.33	Calculated Property
Cp,gas	791.30	J/mol×K	596.11	Calculated Property
Cp,gas	853.51	J/mol×K	676.89	Calculated Property
Cp,gas	907.60	J/mol×K	757.67	Calculated Property
Cp,gas	953.91	J/mol×K	838.44	Calculated Property
Cp,gas	992.79	J/mol×K	919.22	Calculated Property
Cp,gas	1024.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016012; 0.0000718]	Pa×s	[403.47; 678.78]	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			-1.40908e+01
Coefficient B			3.08806e+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.			403.47
Temperature range, max.			678.78
η	0.0016012	Pa×s	403.47	Calculated Property
η	0.0009336	Pa×s	434.06	Calculated Property
η	0.0005845	Pa×s	464.65	Calculated Property
η	0.0003877	Pa×s	495.24	Calculated Property
η	0.0002697	Pa×s	525.83	Calculated Property
η	0.0001953	Pa×s	556.42	Calculated Property
η	0.0001463	Pa×s	587.01	Calculated Property
η	0.0001127	Pa×s	617.60	Calculated Property
η	0.0000890	Pa×s	648.19	Calculated Property
η	0.0000718	Pa×s	678.78	Calculated Property

Similar Compounds

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

Sources

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

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