Chemical Properties of Sebacic acid, di(2-methoxy-4-chlorobenzyl) ester

InChI

InChI=1S/C26H32Cl2O6/c1-31-23-15-21(27)13-11-19(23)17-33-25(29)9-7-5-3-4-6-8-10-26(30)34-18-20-12-14-22(28)16-24(20)32-2/h11-16H,3-10,17-18H2,1-2H3

InChI Key

ZSQLJMMLGNWAAA-UHFFFAOYSA-N

Formula

C26H32Cl2O6

SMILES

COc1cc(Cl)ccc1COC(=O)CCCCCCCCC(=O)OCc1ccc(Cl)cc1OC

Molecular Weight¹

511.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	69.13	kJ/mol	Joback Calculated Property
logPoct/wat	6.918		Crippen Calculated Property
McVol	380.780	ml/mol	McGowan Calculated Property
Inp	[3610.00; 3610.00]
Inp	3610.00		NIST
Inp	3610.00		NIST
Tfus	363.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[543.02; 1181.24]	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			9.62400e+01
Coefficient B			1.85564e+00
Coefficient C			-8.14440e-04
Coefficient D			4.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	543.02	J/mol×K	273.00	Calculated Property
Cp,gas	652.73	J/mol×K	353.78	Calculated Property
Cp,gas	752.42	J/mol×K	434.56	Calculated Property
Cp,gas	842.22	J/mol×K	515.33	Calculated Property
Cp,gas	922.28	J/mol×K	596.11	Calculated Property
Cp,gas	992.73	J/mol×K	676.89	Calculated Property
Cp,gas	1053.71	J/mol×K	757.67	Calculated Property
Cp,gas	1105.37	J/mol×K	838.44	Calculated Property
Cp,gas	1147.83	J/mol×K	919.22	Calculated Property
Cp,gas	1181.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000708; 0.0000130]	Pa×s	[674.66; 946.53]	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			-1.54648e+01
Coefficient B			3.98666e+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.			674.66
Temperature range, max.			946.53
η	0.0000708	Pa×s	674.66	Calculated Property
η	0.0000550	Pa×s	704.87	Calculated Property
η	0.0000436	Pa×s	735.07	Calculated Property
η	0.0000352	Pa×s	765.28	Calculated Property
η	0.0000289	Pa×s	795.49	Calculated Property
η	0.0000240	Pa×s	825.70	Calculated Property
η	0.0000203	Pa×s	855.90	Calculated Property
η	0.0000173	Pa×s	886.11	Calculated Property
η	0.0000149	Pa×s	916.32	Calculated Property
η	0.0000130	Pa×s	946.53	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2-methoxy-4-chlorobenzyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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