Chemical Properties of Ethyl o-carboethoxymethylsalicylate (CAS 56424-77-2)

InChI

InChI=1S/C13H16O5/c1-3-16-12(14)9-18-11-8-6-5-7-10(11)13(15)17-4-2/h5-8H,3-4,9H2,1-2H3

InChI Key

NIUVYKIVCCMXLR-UHFFFAOYSA-N

Formula

C13H16O5

SMILES

CCOC(=O)COc1ccccc1C(=O)OCC

Molecular Weight¹

252.26

CAS

56424-77-2

• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.63; 603.16]	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			4.77830e+01
Coefficient B			9.27640e-01
Coefficient C			-3.47360e-04
Coefficient D			-2.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.63	J/mol×K	273.00	Calculated Property
Cp,gas	331.38	J/mol×K	353.78	Calculated Property
Cp,gas	383.26	J/mol×K	434.56	Calculated Property
Cp,gas	430.17	J/mol×K	515.33	Calculated Property
Cp,gas	472.05	J/mol×K	596.11	Calculated Property
Cp,gas	508.82	J/mol×K	676.89	Calculated Property
Cp,gas	540.39	J/mol×K	757.67	Calculated Property
Cp,gas	566.69	J/mol×K	838.44	Calculated Property
Cp,gas	587.64	J/mol×K	919.22	Calculated Property
Cp,gas	603.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012561; 0.0001186]	Pa×s	[382.10; 609.26]	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			-1.30085e+01
Coefficient B			2.41821e+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.			382.10
Temperature range, max.			609.26
η	0.0012561	Pa×s	382.10	Calculated Property
η	0.0008486	Pa×s	407.34	Calculated Property
η	0.0006002	Pa×s	432.58	Calculated Property
η	0.0004410	Pa×s	457.82	Calculated Property
η	0.0003346	Pa×s	483.06	Calculated Property
η	0.0002610	Pa×s	508.30	Calculated Property
η	0.0002084	Pa×s	533.54	Calculated Property
η	0.0001698	Pa×s	558.78	Calculated Property
η	0.0001408	Pa×s	584.02	Calculated Property
η	0.0001186	Pa×s	609.26	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl o-carboethoxymethylsalicylate.

Sources

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

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