Chemical Properties of Glutaric acid, propyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C14H15Cl3O4/c1-2-6-20-12(18)4-3-5-13(19)21-14-10(16)7-9(15)8-11(14)17/h7-8H,2-6H2,1H3

InChI Key

NDFXZVNVGPMJJV-UHFFFAOYSA-N

Formula

C14H15Cl3O4

SMILES

CCCOC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

353.62

• 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	0.8347		Relay (1.0) Calculated Property
ΔfG°	-353.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-761.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.05	kJ/mol	Joback Calculated Property
ΔvapH°	94.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	4.676		Crippen Calculated Property
McVol	235.960	ml/mol	McGowan Calculated Property
Pc	1898.60	kPa	Joback Calculated Property
Inp	[2325.00; 2325.00]
Inp	2325.00		NIST
Inp	2325.00		NIST
Tboil	599.44	K	Relay (1.0) Calculated Property
Tc	840.61	K	Relay (1.0) Calculated Property
Tfus	317.10	K	Relay (1.0) Calculated Property
Vc	0.862	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.81; 661.54]	J/mol×K	[826.21; 1043.90]
Cp,gas	609.81	J/mol×K	826.21	Joback Calculated Property
Cp,gas	620.76	J/mol×K	862.49	Joback Calculated Property
Cp,gas	630.78	J/mol×K	898.77	Joback Calculated Property
Cp,gas	639.87	J/mol×K	935.06	Joback Calculated Property
Cp,gas	648.02	J/mol×K	971.34	Joback Calculated Property
Cp,gas	655.24	J/mol×K	1007.62	Joback Calculated Property
Cp,gas	661.54	J/mol×K	1043.90	Joback Calculated Property
η	[0.0000845; 0.0004707]	Pa×s	[545.60; 826.21]
η	0.0004707	Pa×s	545.60	Joback Calculated Property
η	0.0003158	Pa×s	592.37	Joback Calculated Property
η	0.0002246	Pa×s	639.14	Joback Calculated Property
η	0.0001673	Pa×s	685.90	Joback Calculated Property
η	0.0001294	Pa×s	732.67	Joback Calculated Property
η	0.0001033	Pa×s	779.44	Joback Calculated Property
η	0.0000845	Pa×s	826.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, propyl 2,4,6-trichlorophenyl ester.

Sources

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

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