Chemical Properties of Sebacic acid, di(2-(2-chlorophenoxy)ethyl) ester

InChI

InChI=1S/C26H32Cl2O6/c27-21-11-7-9-13-23(21)31-17-19-33-25(29)15-5-3-1-2-4-6-16-26(30)34-20-18-32-24-14-10-8-12-22(24)28/h7-14H,1-6,15-20H2

InChI Key

KACVKDRQJIHRJF-UHFFFAOYSA-N

Formula

C26H32Cl2O6

SMILES

O=C(CCCCCCCCC(=O)OCCOc1ccccc1Cl)OCCOc1ccccc1Cl

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).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	69.91	kJ/mol	Joback Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-7.00		Relay (1.0) Calculated Property
logPoct/wat	6.658		Crippen Calculated Property
McVol	380.780	ml/mol	McGowan Calculated Property
Inp	[3690.00; 3690.00]
Inp	3690.00		NIST
Inp	3690.00		NIST
Tfus	359.26	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 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	[1215.17; 1237.28]	J/mol×K	[1093.94; 1339.82]
Cp,gas	1215.17	J/mol×K	1093.94	Joback Calculated Property
Cp,gas	1223.75	J/mol×K	1134.92	Joback Calculated Property
Cp,gas	1230.21	J/mol×K	1175.90	Joback Calculated Property
Cp,gas	1234.59	J/mol×K	1216.88	Joback Calculated Property
Cp,gas	1236.94	J/mol×K	1257.86	Joback Calculated Property
Cp,gas	1237.28	J/mol×K	1298.84	Joback Calculated Property
Cp,gas	1235.67	J/mol×K	1339.82	Joback Calculated Property
η	[0.0000067; 0.0000863]	Pa×s	[649.62; 1093.94]
η	0.0000863	Pa×s	649.62	Joback Calculated Property
η	0.0000453	Pa×s	723.67	Joback Calculated Property
η	0.0000268	Pa×s	797.73	Joback Calculated Property
η	0.0000173	Pa×s	871.78	Joback Calculated Property
η	0.0000120	Pa×s	945.83	Joback Calculated Property
η	0.0000088	Pa×s	1019.89	Joback Calculated Property
η	0.0000067	Pa×s	1093.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2-(2-chlorophenoxy)ethyl) 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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