Chemical Properties of Benzoic acid, 2-ethoxy-

InChI

InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

InChI Key

XDZMPRGFOOFSBL-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

CCOc1ccccc1C(=O)O

Molecular Weight¹

166.18

Other Names

• Benzoic acid, o-ethoxy-
• o-Ethoxybenzoic acid
• 2-Ethoxybenzoic acid
• ortho-Ethoxybenzoic acid

• 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_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.73; 391.36]	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			5.20100e+00
Coefficient B			7.08020e-01
Coefficient C			-3.91560e-04
Coefficient D			6.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.73	J/mol×K	273.00	Calculated Property
Cp,gas	209.76	J/mol×K	353.78	Calculated Property
Cp,gas	244.65	J/mol×K	434.56	Calculated Property
Cp,gas	275.62	J/mol×K	515.33	Calculated Property
Cp,gas	302.88	J/mol×K	596.11	Calculated Property
Cp,gas	326.66	J/mol×K	676.89	Calculated Property
Cp,gas	347.18	J/mol×K	757.67	Calculated Property
Cp,gas	364.66	J/mol×K	838.44	Calculated Property
Cp,gas	379.31	J/mol×K	919.22	Calculated Property
Cp,gas	391.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008791; 0.0002144]	Pa×s	[412.96; 579.11]	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			-1.19550e+01
Coefficient B			2.03107e+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.			412.96
Temperature range, max.			579.11
η	0.0008791	Pa×s	412.96	Calculated Property
η	0.0007122	Pa×s	431.42	Calculated Property
η	0.0005871	Pa×s	449.88	Calculated Property
η	0.0004914	Pa×s	468.34	Calculated Property
η	0.0004169	Pa×s	486.81	Calculated Property
η	0.0003579	Pa×s	505.27	Calculated Property
η	0.0003106	Pa×s	523.73	Calculated Property
η	0.0002722	Pa×s	542.19	Calculated Property
η	0.0002406	Pa×s	560.65	Calculated Property
η	0.0002144	Pa×s	579.11	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-ethoxy-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.