Chemical Properties of Sebacic acid, 2,3-dichlorobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C24H36Cl2O4/c1-4-12-21(18(2)3)30-23(28)16-10-8-6-5-7-9-15-22(27)29-17-19-13-11-14-20(25)24(19)26/h11,13-14,18,21H,4-10,12,15-17H2,1-3H3

InChI Key

KHMOWNUMLLTYHK-UHFFFAOYSA-N

Formula

C24H36Cl2O4

SMILES

CCCC(OC(=O)CCCCCCCCC(=O)OCc1cccc(Cl)c1Cl)C(C)C

Molecular Weight¹

459.45

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	61.26	kJ/mol	Joback Calculated Property
logPoct/wat	7.525		Crippen Calculated Property
McVol	364.620	ml/mol	McGowan Calculated Property
Inp	[3094.00; 3094.00]
Inp	3094.00		NIST
Inp	3094.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[521.31; 1166.74]	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			4.90010e+01
Coefficient B			2.00176e+00
Coefficient C			-1.03692e-03
Coefficient D			1.52900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	521.31	J/mol×K	273.00	Calculated Property
Cp,gas	634.17	J/mol×K	353.78	Calculated Property
Cp,gas	735.61	J/mol×K	434.56	Calculated Property
Cp,gas	826.13	J/mol×K	515.33	Calculated Property
Cp,gas	906.19	J/mol×K	596.11	Calculated Property
Cp,gas	976.30	J/mol×K	676.89	Calculated Property
Cp,gas	1036.92	J/mol×K	757.67	Calculated Property
Cp,gas	1088.54	J/mol×K	838.44	Calculated Property
Cp,gas	1131.66	J/mol×K	919.22	Calculated Property
Cp,gas	1166.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003546; 0.0000261]	Pa×s	[526.20; 836.46]	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			-1.49740e+01
Coefficient B			3.69890e+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.			526.20
Temperature range, max.			836.46
η	0.0003546	Pa×s	526.20	Calculated Property
η	0.0002302	Pa×s	560.67	Calculated Property
η	0.0001571	Pa×s	595.15	Calculated Property
η	0.0001118	Pa×s	629.62	Calculated Property
η	0.0000824	Pa×s	664.10	Calculated Property
η	0.0000626	Pa×s	698.57	Calculated Property
η	0.0000488	Pa×s	733.04	Calculated Property
η	0.0000389	Pa×s	767.52	Calculated Property
η	0.0000316	Pa×s	801.99	Calculated Property
η	0.0000261	Pa×s	836.46	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,3-dichlorobenzyl 2-methylhex-3-yl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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