Chemical Properties of Sebacic acid, di(2,6-dichlorophenyl) ester

InChI

InChI=1S/C22H22Cl4O4/c23-15-9-7-10-16(24)21(15)29-19(27)13-5-3-1-2-4-6-14-20(28)30-22-17(25)11-8-12-18(22)26/h7-12H,1-6,13-14H2

InChI Key

PPXICGKGQXNXGS-UHFFFAOYSA-N

Formula

C22H22Cl4O4

SMILES

O=C(CCCCCCCCC(=O)Oc1c(Cl)cccc1Cl)Oc1c(Cl)cccc1Cl

Molecular Weight¹

492.22

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	61.62	kJ/mol	Joback Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
logPoct/wat	7.932		Crippen Calculated Property
McVol	337.160	ml/mol	McGowan Calculated Property
Inp	[3615.00; 3615.00]
Inp	3615.00		NIST
Inp	3615.00		NIST
Tboil	661.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[973.58; 1004.38]	J/mol×K	[1078.34; 1323.43]
Cp,gas	973.58	J/mol×K	1078.34	Joback Calculated Property
Cp,gas	982.06	J/mol×K	1119.19	Joback Calculated Property
Cp,gas	989.14	J/mol×K	1160.04	Joback Calculated Property
Cp,gas	994.87	J/mol×K	1200.88	Joback Calculated Property
Cp,gas	999.29	J/mol×K	1241.73	Joback Calculated Property
Cp,gas	1002.44	J/mol×K	1282.58	Joback Calculated Property
Cp,gas	1004.38	J/mol×K	1323.43	Joback Calculated Property
η	[0.0000234; 0.0001418]	Pa×s	[704.62; 1078.34]
η	0.0001418	Pa×s	704.62	Joback Calculated Property
η	0.0000930	Pa×s	766.91	Joback Calculated Property
η	0.0000649	Pa×s	829.19	Joback Calculated Property
η	0.0000477	Pa×s	891.48	Joback Calculated Property
η	0.0000364	Pa×s	953.77	Joback Calculated Property
η	0.0000288	Pa×s	1016.05	Joback Calculated Property
η	0.0000234	Pa×s	1078.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2,6-dichlorophenyl) 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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