Chemical Properties of Sebacic acid, di(4-chloro-2-methylbenzyl) ester

InChI

InChI=1S/C26H32Cl2O4/c1-19-15-23(27)13-11-21(19)17-31-25(29)9-7-5-3-4-6-8-10-26(30)32-18-22-12-14-24(28)16-20(22)2/h11-16H,3-10,17-18H2,1-2H3

InChI Key

OPUIQIDDCVQAAS-UHFFFAOYSA-N

Formula

C26H32Cl2O4

SMILES

Cc1cc(Cl)ccc1COC(=O)CCCCCCCCC(=O)OCc1ccc(Cl)cc1C

Molecular Weight¹

479.44

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Property	Value	Unit	Source
ΔfusH°	66.75	kJ/mol	Joback Calculated Property
log10WS	-7.60		Relay (1.0) Calculated Property
logPoct/wat	7.518		Crippen Calculated Property
McVol	369.040	ml/mol	McGowan Calculated Property
Inp	[3416.00; 3416.00]
Inp	3416.00		NIST
Inp	3416.00		NIST
Tboil	718.35	K	Relay (1.0) Calculated Property
Tc	970.26	K	Relay (1.0) Calculated Property
Tfus	340.85	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1164.08; 1207.12]	J/mol×K	[1059.06; 1296.86]
Cp,gas	1164.08	J/mol×K	1059.06	Joback Calculated Property
Cp,gas	1175.23	J/mol×K	1098.69	Joback Calculated Property
Cp,gas	1184.71	J/mol×K	1138.33	Joback Calculated Property
Cp,gas	1192.59	J/mol×K	1177.96	Joback Calculated Property
Cp,gas	1198.91	J/mol×K	1217.59	Joback Calculated Property
Cp,gas	1203.73	J/mol×K	1257.23	Joback Calculated Property
Cp,gas	1207.12	J/mol×K	1296.86	Joback Calculated Property
η	[0.0000134; 0.0001479]	Pa×s	[630.20; 1059.06]
η	0.0001479	Pa×s	630.20	Joback Calculated Property
η	0.0000808	Pa×s	701.68	Joback Calculated Property
η	0.0000493	Pa×s	773.15	Joback Calculated Property
η	0.0000328	Pa×s	844.63	Joback Calculated Property
η	0.0000232	Pa×s	916.11	Joback Calculated Property
η	0.0000172	Pa×s	987.58	Joback Calculated Property
η	0.0000134	Pa×s	1059.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(4-chloro-2-methylbenzyl) 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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