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

InChI

InChI=1S/C14H14Cl4O4/c1-7(2)6-21-10(19)3-4-11(20)22-14-12(17)8(15)5-9(16)13(14)18/h5,7H,3-4,6H2,1-2H3

InChI Key

HNSFOJLAXWCAGH-UHFFFAOYSA-N

Formula

C14H14Cl4O4

SMILES

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

Molecular Weight¹

388.07

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8302		Relay (1.0) Calculated Property
ΔfG°	-377.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-786.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.34	kJ/mol	Joback Calculated Property
ΔvapH°	97.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-6.05		Relay (1.0) Calculated Property
logPoct/wat	5.185		Crippen Calculated Property
McVol	248.200	ml/mol	McGowan Calculated Property
Pc	1827.85	kPa	Joback Calculated Property
Inp	[2422.00; 2422.00]
Inp	2422.00		NIST
Inp	2422.00		NIST
Tboil	617.92	K	Relay (1.0) Calculated Property
Tc	873.92	K	Relay (1.0) Calculated Property
Tfus	357.01	K	Relay (1.0) Calculated Property
Vc	0.904	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[629.30; 673.43]	J/mol×K	[868.18; 1092.96]
Cp,gas	629.30	J/mol×K	868.18	Joback Calculated Property
Cp,gas	639.17	J/mol×K	905.64	Joback Calculated Property
Cp,gas	648.03	J/mol×K	943.11	Joback Calculated Property
Cp,gas	655.89	J/mol×K	980.57	Joback Calculated Property
Cp,gas	662.75	J/mol×K	1018.04	Joback Calculated Property
Cp,gas	668.60	J/mol×K	1055.50	Joback Calculated Property
Cp,gas	673.43	J/mol×K	1092.96	Joback Calculated Property
η	[0.0000678; 0.0003825]	Pa×s	[573.04; 868.18]
η	0.0003825	Pa×s	573.04	Joback Calculated Property
η	0.0002558	Pa×s	622.23	Joback Calculated Property
η	0.0001814	Pa×s	671.42	Joback Calculated Property
η	0.0001349	Pa×s	720.61	Joback Calculated Property
η	0.0001041	Pa×s	769.80	Joback Calculated Property
η	0.0000829	Pa×s	818.99	Joback Calculated Property
η	0.0000678	Pa×s	868.18	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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