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

InChI

InChI=1S/C16H18Cl4O4/c1-9(2)8-23-12(21)5-3-4-6-13(22)24-16-14(19)10(17)7-11(18)15(16)20/h7,9H,3-6,8H2,1-2H3

InChI Key

IBKJTWOUNXFHHO-UHFFFAOYSA-N

Formula

C16H18Cl4O4

SMILES

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

Molecular Weight¹

416.12

• 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	-837.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.68	kJ/mol	Joback Calculated Property
ΔvapH°	103.92	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.965		Crippen Calculated Property
McVol	276.380	ml/mol	McGowan Calculated Property
Pc	1464.61	kPa	Joback Calculated Property
Inp	[2644.00; 2644.00]
Inp	2644.00		NIST
Inp	2644.00		NIST
Tboil	634.46	K	Relay (1.0) Calculated Property
Tc	890.47	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	[733.25; 779.16]	J/mol×K	[878.00; 1096.05]
Cp,gas	733.25	J/mol×K	878.00	Joback Calculated Property
Cp,gas	743.73	J/mol×K	914.34	Joback Calculated Property
Cp,gas	753.07	J/mol×K	950.68	Joback Calculated Property
Cp,gas	761.28	J/mol×K	987.03	Joback Calculated Property
Cp,gas	768.36	J/mol×K	1023.37	Joback Calculated Property
Cp,gas	774.31	J/mol×K	1059.71	Joback Calculated Property
Cp,gas	779.16	J/mol×K	1096.05	Joback Calculated Property
η	[0.0000386; 0.0003808]	Pa×s	[535.92; 878.00]
η	0.0003808	Pa×s	535.92	Joback Calculated Property
η	0.0002165	Pa×s	592.93	Joback Calculated Property
η	0.0001359	Pa×s	649.95	Joback Calculated Property
η	0.0000920	Pa×s	706.96	Joback Calculated Property
η	0.0000660	Pa×s	763.97	Joback Calculated Property
η	0.0000495	Pa×s	820.99	Joback Calculated Property
η	0.0000386	Pa×s	878.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic 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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