Chemical Properties of Sebacic acid, 2-methylhex-3-yl 2,4,6-trichlorobenzyl ester

InChI

InChI=1S/C24H35Cl3O4/c1-4-11-22(17(2)3)31-24(29)13-10-8-6-5-7-9-12-23(28)30-16-19-20(26)14-18(25)15-21(19)27/h14-15,17,22H,4-13,16H2,1-3H3

InChI Key

LCDIFUCTVCODHF-UHFFFAOYSA-N

Formula

C24H35Cl3O4

SMILES

CCCC(OC(=O)CCCCCCCCC(=O)OCc1c(Cl)cc(Cl)cc1Cl)C(C)C

Molecular Weight¹

493.89

• 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°	65.07	kJ/mol	Joback Calculated Property
logPoct/wat	8.179		Crippen Calculated Property
McVol	376.860	ml/mol	McGowan Calculated Property
Inp	[3147.00; 3147.00]
Inp	3147.00		NIST
Inp	3147.00		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	[537.27; 1171.97]	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			7.61910e+01
Coefficient B			1.94906e+00
Coefficient C			-9.90280e-04
Coefficient D			1.37000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	537.27	J/mol×K	273.00	Calculated Property
Cp,gas	647.85	J/mol×K	353.78	Calculated Property
Cp,gas	747.41	J/mol×K	434.56	Calculated Property
Cp,gas	836.37	J/mol×K	515.33	Calculated Property
Cp,gas	915.17	J/mol×K	596.11	Calculated Property
Cp,gas	984.25	J/mol×K	676.89	Calculated Property
Cp,gas	1044.04	J/mol×K	757.67	Calculated Property
Cp,gas	1094.96	J/mol×K	838.44	Calculated Property
Cp,gas	1137.46	J/mol×K	919.22	Calculated Property
Cp,gas	1171.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002281; 0.0000220]	Pa×s	[568.64; 872.59]	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			-1.51017e+01
Coefficient B			3.81896e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			568.64
Temperature range, max.			872.59
η	0.0002281	Pa×s	568.64	Calculated Property
η	0.0001565	Pa×s	602.41	Calculated Property
η	0.0001118	Pa×s	636.18	Calculated Property
η	0.0000826	Pa×s	669.96	Calculated Property
η	0.0000628	Pa×s	703.73	Calculated Property
η	0.0000490	Pa×s	737.50	Calculated Property
η	0.0000391	Pa×s	771.27	Calculated Property
η	0.0000317	Pa×s	805.04	Calculated Property
η	0.0000262	Pa×s	838.82	Calculated Property
η	0.0000220	Pa×s	872.59	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-methylhex-3-yl 2,4,6-trichlorobenzyl 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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