Chemical Properties of Sebacic acid, isobutyl 2,3,5,6-tetrachlorophenyl ester

InChI

InChI=1S/C20H26Cl4O4/c1-13(2)12-27-16(25)9-7-5-3-4-6-8-10-17(26)28-20-18(23)14(21)11-15(22)19(20)24/h11,13H,3-10,12H2,1-2H3

InChI Key

VTZNJJZJUFHXDE-UHFFFAOYSA-N

Formula

C20H26Cl4O4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)Oc1c(Cl)c(Cl)cc(Cl)c1Cl

Molecular Weight¹

472.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-922.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.04	kJ/mol	Joback Calculated Property
ΔvapH°	117.70	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	7.526		Crippen Calculated Property
McVol	332.740	ml/mol	McGowan Calculated Property
Pc	1113.34	kPa	Joback Calculated Property
Inp	[3111.00; 3111.00]
Inp	3111.00		NIST
Inp	3111.00		NIST
Tboil	661.76	K	Relay (1.0) Calculated Property
Tc	919.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[961.09; 1007.27]	J/mol×K	[969.52; 1190.59]
Cp,gas	961.09	J/mol×K	969.52	Joback Calculated Property
Cp,gas	972.10	J/mol×K	1006.37	Joback Calculated Property
Cp,gas	981.76	J/mol×K	1043.21	Joback Calculated Property
Cp,gas	990.08	J/mol×K	1080.06	Joback Calculated Property
Cp,gas	997.10	J/mol×K	1116.90	Joback Calculated Property
Cp,gas	1002.82	J/mol×K	1153.75	Joback Calculated Property
Cp,gas	1007.27	J/mol×K	1190.59	Joback Calculated Property
η	[0.0000208; 0.0002364]	Pa×s	[581.00; 969.52]
η	0.0002364	Pa×s	581.00	Joback Calculated Property
η	0.0001286	Pa×s	645.75	Joback Calculated Property
η	0.0000782	Pa×s	710.51	Joback Calculated Property
η	0.0000517	Pa×s	775.26	Joback Calculated Property
η	0.0000364	Pa×s	840.01	Joback Calculated Property
η	0.0000270	Pa×s	904.77	Joback Calculated Property
η	0.0000208	Pa×s	969.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isobutyl 2,3,5,6-tetrachlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• 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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