Chemical Properties of Glutaric acid, 8-chlorooctyl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C20H28Cl2O5/c1-25-18-15-16(22)11-12-17(18)27-20(24)10-8-9-19(23)26-14-7-5-3-2-4-6-13-21/h11-12,15H,2-10,13-14H2,1H3

InChI Key

ZWKWDSSOOMCJLM-UHFFFAOYSA-N

Formula

C20H28Cl2O5

SMILES

COc1cc(Cl)ccc1OC(=O)CCCC(=O)OCCCCCCCCCl

Molecular Weight¹

419.34

• 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	1.1026		Relay (1.0) Calculated Property
ΔfG°	-386.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-997.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.97	kJ/mol	Joback Calculated Property
ΔvapH°	118.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-5.80		Relay (1.0) Calculated Property
logPoct/wat	5.547		Crippen Calculated Property
McVol	314.130	ml/mol	McGowan Calculated Property
Pc	1243.33	kPa	Joback Calculated Property
Inp	[3083.00; 3083.00]
Inp	3083.00		NIST
Inp	3083.00		NIST
Tboil	671.37	K	Relay (1.0) Calculated Property
Tc	894.97	K	Relay (1.0) Calculated Property
Tfus	331.37	K	Relay (1.0) Calculated Property
Vc	1.149	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[956.63; 1015.13]	J/mol×K	[943.50; 1158.06]
Cp,gas	956.63	J/mol×K	943.50	Joback Calculated Property
Cp,gas	969.67	J/mol×K	979.26	Joback Calculated Property
Cp,gas	981.38	J/mol×K	1015.02	Joback Calculated Property
Cp,gas	991.77	J/mol×K	1050.78	Joback Calculated Property
Cp,gas	1000.85	J/mol×K	1086.54	Joback Calculated Property
Cp,gas	1008.64	J/mol×K	1122.30	Joback Calculated Property
Cp,gas	1015.13	J/mol×K	1158.06	Joback Calculated Property
η	[0.0000304; 0.0002439]	Pa×s	[593.01; 943.50]
η	0.0002439	Pa×s	593.01	Joback Calculated Property
η	0.0001475	Pa×s	651.42	Joback Calculated Property
η	0.0000969	Pa×s	709.84	Joback Calculated Property
η	0.0000678	Pa×s	768.25	Joback Calculated Property
η	0.0000500	Pa×s	826.67	Joback Calculated Property
η	0.0000383	Pa×s	885.09	Joback Calculated Property
η	0.0000304	Pa×s	943.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-chloro-2-methoxyphenyl ester.

Sources

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

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