Chemical Properties of Succinic acid, isobutyl 2,3,6-trichlorophenyl ester

InChI

InChI=1S/C14H15Cl3O4/c1-8(2)7-20-11(18)5-6-12(19)21-14-10(16)4-3-9(15)13(14)17/h3-4,8H,5-7H2,1-2H3

InChI Key

DLAVXKZVZGRPFU-UHFFFAOYSA-N

Formula

C14H15Cl3O4

SMILES

CC(C)COC(=O)CCC(=O)Oc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

353.62

• 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	-776.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.70	kJ/mol	Joback Calculated Property
ΔvapH°	94.97	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.532		Crippen Calculated Property
McVol	235.960	ml/mol	McGowan Calculated Property
Pc	1781.84	kPa	Joback Calculated Property
Inp	[2255.00; 2255.00]
Inp	2255.00		NIST
Inp	2255.00		NIST
Tboil	604.43	K	Relay (1.0) Calculated Property
Tc	852.80	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	[604.08; 656.62]	J/mol×K	[789.83; 1006.87]
Cp,gas	604.08	J/mol×K	789.83	Joback Calculated Property
Cp,gas	615.42	J/mol×K	826.00	Joback Calculated Property
Cp,gas	625.72	J/mol×K	862.18	Joback Calculated Property
Cp,gas	634.98	J/mol×K	898.35	Joback Calculated Property
Cp,gas	643.22	J/mol×K	934.52	Joback Calculated Property
Cp,gas	650.43	J/mol×K	970.70	Joback Calculated Property
Cp,gas	656.62	J/mol×K	1006.87	Joback Calculated Property
η	[0.0000603; 0.0006876]	Pa×s	[470.94; 789.83]
η	0.0006876	Pa×s	470.94	Joback Calculated Property
η	0.0003731	Pa×s	524.09	Joback Calculated Property
η	0.0002265	Pa×s	577.24	Joback Calculated Property
η	0.0001496	Pa×s	630.38	Joback Calculated Property
η	0.0001054	Pa×s	683.53	Joback Calculated Property
η	0.0000781	Pa×s	736.68	Joback Calculated Property
η	0.0000603	Pa×s	789.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 2,3,6-trichlorophenyl 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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