Chemical Properties of 1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl ethyl ester (CAS 84-72-0)

InChI

InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3

InChI Key

PZBLUWVMZMXIKZ-UHFFFAOYSA-N

Formula

C14H16O6

SMILES

CCOC(=O)COC(=O)c1ccccc1C(=O)OCC

Molecular Weight¹

280.27

CAS

84-72-0

Other Names

• Phthalic acid, ethyl ester, ester with ethyl glycolate
• Carbethoxymethyl ethyl phthalate
• Diethyl o-carboxybenzoyloxyacetate
• Ethyl carbethoxymethyl phthalate
• Ethyl phthalyl ethyl glycolate
• Santicizer E-15
• Ethoxycarbonylmethyl ethyl phthalate
• 1-(2-Ethoxy-2-oxoethyl) 2-ethyl phthalate

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.78; 644.36]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.67830e+01
Coefficient B			1.03104e+00
Coefficient C			-4.18160e-04
Coefficient D			-1.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.78	J/mol×K	273.00	Calculated Property
Cp,gas	358.53	J/mol×K	353.78	Calculated Property
Cp,gas	414.61	J/mol×K	434.56	Calculated Property
Cp,gas	464.97	J/mol×K	515.33	Calculated Property
Cp,gas	509.56	J/mol×K	596.11	Calculated Property
Cp,gas	548.35	J/mol×K	676.89	Calculated Property
Cp,gas	581.26	J/mol×K	757.67	Calculated Property
Cp,gas	608.27	J/mol×K	838.44	Calculated Property
Cp,gas	629.32	J/mol×K	919.22	Calculated Property
Cp,gas	644.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011596; 0.0000992]	Pa×s	[413.47; 651.77]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.34832e+01
Coefficient B			2.78000e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			413.47
Temperature range, max.			651.77
η	0.0011596	Pa×s	413.47	Calculated Property
η	0.0007737	Pa×s	439.95	Calculated Property
η	0.0005405	Pa×s	466.43	Calculated Property
η	0.0003924	Pa×s	492.90	Calculated Property
η	0.0002944	Pa×s	519.38	Calculated Property
η	0.0002271	Pa×s	545.86	Calculated Property
η	0.0001794	Pa×s	572.34	Calculated Property
η	0.0001447	Pa×s	598.81	Calculated Property
η	0.0001189	Pa×s	625.29	Calculated Property
η	0.0000992	Pa×s	651.77	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl ethyl ester.

Sources

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

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