Chemical Properties of Glutaric acid, isohexyl 2,3,5,6-tetrachlorophenyl ester

InChI

InChI=1S/C17H20Cl4O4/c1-10(2)5-4-8-24-13(22)6-3-7-14(23)25-17-15(20)11(18)9-12(19)16(17)21/h9-10H,3-8H2,1-2H3

InChI Key

NUJUXSBEAAGYLG-UHFFFAOYSA-N

Formula

C17H20Cl4O4

SMILES

CC(C)CCCOC(=O)CCCC(=O)Oc1c(Cl)c(Cl)cc(Cl)c1Cl

Molecular Weight¹

430.15

• 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	0.9464		Relay (1.0) Calculated Property
ΔfG°	-351.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-861.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.11	kJ/mol	Joback Calculated Property
ΔvapH°	107.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-6.74		Relay (1.0) Calculated Property
logPoct/wat	6.355		Crippen Calculated Property
McVol	290.470	ml/mol	McGowan Calculated Property
Pc	1449.04	kPa	Joback Calculated Property
Inp	[2799.00; 2799.00]
Inp	2799.00		NIST
Inp	2799.00		NIST
Tboil	645.06	K	Relay (1.0) Calculated Property
Tc	899.79	K	Relay (1.0) Calculated Property
Tfus	339.73	K	Relay (1.0) Calculated Property
Vc	1.054	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[797.00; 843.45]	J/mol×K	[936.82; 1159.26]
Cp,gas	797.00	J/mol×K	936.82	Joback Calculated Property
Cp,gas	807.58	J/mol×K	973.89	Joback Calculated Property
Cp,gas	817.02	J/mol×K	1010.97	Joback Calculated Property
Cp,gas	825.32	J/mol×K	1048.04	Joback Calculated Property
Cp,gas	832.48	J/mol×K	1085.11	Joback Calculated Property
Cp,gas	838.52	J/mol×K	1122.19	Joback Calculated Property
Cp,gas	843.45	J/mol×K	1159.26	Joback Calculated Property
η	[0.0000437; 0.0002799]	Pa×s	[606.85; 936.82]
η	0.0002799	Pa×s	606.85	Joback Calculated Property
η	0.0001806	Pa×s	661.85	Joback Calculated Property
η	0.0001247	Pa×s	716.84	Joback Calculated Property
η	0.0000907	Pa×s	771.84	Joback Calculated Property
η	0.0000688	Pa×s	826.83	Joback Calculated Property
η	0.0000541	Pa×s	881.82	Joback Calculated Property
η	0.0000437	Pa×s	936.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isohexyl 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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