Chemical Properties of Glutaric acid, 2,2-dichloroethyl 2-methyl-4-chlorophenyl ester

InChI

InChI=1S/C14H15Cl3O4/c1-9-7-10(15)5-6-11(9)21-14(19)4-2-3-13(18)20-8-12(16)17/h5-7,12H,2-4,8H2,1H3

InChI Key

DDOATBNWISWWFT-UHFFFAOYSA-N

Formula

C14H15Cl3O4

SMILES

Cc1cc(Cl)ccc1OC(=O)CCCC(=O)OCC(Cl)Cl

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	0.8085		Relay (1.0) Calculated Property
ΔfG°	-345.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-779.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.92	kJ/mol	Joback Calculated Property
ΔvapH°	98.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	4.071		Crippen Calculated Property
McVol	235.960	ml/mol	McGowan Calculated Property
Pc	1937.24	kPa	Joback Calculated Property
Inp	[2426.00; 2426.00]
Inp	2426.00		NIST
Inp	2426.00		NIST
Tboil	629.68	K	Relay (1.0) Calculated Property
Tc	858.60	K	Relay (1.0) Calculated Property
Tfus	329.48	K	Relay (1.0) Calculated Property
Vc	0.838	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.96; 664.54]	J/mol×K	[820.79; 1040.75]
Cp,gas	611.96	J/mol×K	820.79	Joback Calculated Property
Cp,gas	623.13	J/mol×K	857.45	Joback Calculated Property
Cp,gas	633.33	J/mol×K	894.11	Joback Calculated Property
Cp,gas	642.56	J/mol×K	930.77	Joback Calculated Property
Cp,gas	650.83	J/mol×K	967.43	Joback Calculated Property
Cp,gas	658.15	J/mol×K	1004.09	Joback Calculated Property
Cp,gas	664.54	J/mol×K	1040.75	Joback Calculated Property
η	[0.0000767; 0.0005822]	Pa×s	[518.08; 820.79]
η	0.0005822	Pa×s	518.08	Joback Calculated Property
η	0.0003575	Pa×s	568.53	Joback Calculated Property
η	0.0002376	Pa×s	618.98	Joback Calculated Property
η	0.0001680	Pa×s	669.43	Joback Calculated Property
η	0.0001247	Pa×s	719.89	Joback Calculated Property
η	0.0000962	Pa×s	770.34	Joback Calculated Property
η	0.0000767	Pa×s	820.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-methyl-4-chlorophenyl ester.

Sources

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

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