Chemical Properties of Phthalic acid, 2,4-dichlorobenzyl ethyl ester

InChI

InChI=1S/C17H14Cl2O4/c1-2-22-16(20)13-5-3-4-6-14(13)17(21)23-10-11-7-8-12(18)9-15(11)19/h3-9H,2,10H2,1H3

InChI Key

MWSRTAPGXCAQAB-UHFFFAOYSA-N

Formula

C17H14Cl2O4

SMILES

CCOC(=O)c1ccccc1C(=O)OCc1ccc(Cl)cc1Cl

Molecular Weight¹

353.20

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7987		Relay (1.0) Calculated Property
ΔfH°gas	-587.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.83	kJ/mol	Joback Calculated Property
ΔvapH°	105.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	4.527		Crippen Calculated Property
McVol	242.230	ml/mol	McGowan Calculated Property
Pc	1895.30	kPa	Joback Calculated Property
Inp	[2453.00; 2453.00]
Inp	2453.00		NIST
Inp	2453.00		NIST
Tboil	655.20	K	Relay (1.0) Calculated Property
Tc	911.66	K	Relay (1.0) Calculated Property
Tfus	306.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.31; 694.61]	J/mol×K	[848.16; 1083.54]
Cp,gas	647.31	J/mol×K	848.16	Joback Calculated Property
Cp,gas	658.38	J/mol×K	887.39	Joback Calculated Property
Cp,gas	668.13	J/mol×K	926.62	Joback Calculated Property
Cp,gas	676.61	J/mol×K	965.85	Joback Calculated Property
Cp,gas	683.83	J/mol×K	1005.08	Joback Calculated Property
Cp,gas	689.82	J/mol×K	1044.31	Joback Calculated Property
Cp,gas	694.61	J/mol×K	1083.54	Joback Calculated Property
η	[0.0000506; 0.0004719]	Pa×s	[516.25; 848.16]
η	0.0004719	Pa×s	516.25	Joback Calculated Property
η	0.0002716	Pa×s	571.57	Joback Calculated Property
η	0.0001723	Pa×s	626.89	Joback Calculated Property
η	0.0001177	Pa×s	682.20	Joback Calculated Property
η	0.0000851	Pa×s	737.52	Joback Calculated Property
η	0.0000644	Pa×s	792.84	Joback Calculated Property
η	0.0000506	Pa×s	848.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,4-dichlorobenzyl ethyl ester.

Sources

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

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