Chemical Properties of Benzoic acid, 2-hydroxy-, ethyl ester (CAS 118-61-6)

InChI

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

InChI Key

GYCKQBWUSACYIF-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

CCOC(=O)c1ccccc1O

Molecular Weight¹

166.17

CAS

118-61-6

Other Names

• 2-Hydroxybenzoic acid ethyl ester
• Ethyl o-hydroxybenzoate
• NSC 8209
• ethyl 2-hydroxybenzoate
• ethyl salicylate
• mesotol
• o-(ethoxycarbonyl)phenol
• sal ethyl
• salicylic acid, ethyl ester
• salicylic ether
• salotan

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.6331		Relay (1.0) Calculated Property
ΔfH°gas	-503.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.26	kJ/mol	Joback Calculated Property
ΔvapH°	66.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-2.48		Relay (1.0) Calculated Property
logPoct/wat	1.569		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	3920.94	kPa	Joback Calculated Property
Inp	[1236.80; 1286.00]
Inp	1249.00		NIST
Inp	1249.10		NIST
Inp	1272.00		NIST
Inp	1256.00		NIST
Inp	1254.00		NIST
Inp	1257.00		NIST
Inp	1286.00		NIST
Inp	1267.00		NIST
Inp	1269.00		NIST
Inp	1236.80		NIST
Inp	1270.00		NIST
Inp	1267.00		NIST
Inp	1241.00		NIST
Inp	1261.00		NIST
Inp	1270.00		NIST
Inp	1279.00		NIST
Inp	1269.00		NIST
Inp	1272.00		NIST
Inp	1267.00		NIST
Inp	1265.00		NIST
Inp	1240.00		NIST
Inp	1249.00		NIST
Inp	1238.00		NIST
Inp	1257.00		NIST
Inp	1280.00		NIST
Inp	1243.00		NIST
Inp	1267.00		NIST
Inp	1279.00		NIST
Inp	1255.00		NIST
Inp	1286.00		NIST
Inp	1257.00		NIST
Inp	1257.00		NIST
Inp	1249.00		NIST
Inp	1261.00		NIST
Inp	1270.00		NIST
Inp	1265.00		NIST
Inp	1280.00		NIST
Inp	1286.00		NIST
Inp	1267.00		NIST
Inp	1272.00		NIST
I	[1778.00; 1837.00]
I	1798.00		NIST
I	1828.00		NIST
I	1816.00		NIST
I	1788.00		NIST
I	1815.00		NIST
I	1832.00		NIST
I	1832.00		NIST
I	1837.00		NIST
I	1791.00		NIST
I	1786.00		NIST
I	1786.00		NIST
I	1820.00		NIST
I	1778.00		NIST
I	1834.00		NIST
I	1780.00		NIST
I	1787.00		NIST
I	1834.00		NIST
I	1834.00		NIST
I	1834.00		NIST
I	1819.00		NIST
I	1828.00		NIST
I	1829.00		NIST
I	1828.00		NIST
I	1798.00		NIST
Tboil	[495.50; 507.20]	K
Tboil	507.20	K	NIST
Tboil	506.95 ± 0.50	K	NIST
Tboil	495.50 ± 0.50	K	NIST
Tboil	506.90 ± 1.00	K	NIST
Tboil	504.65 ± 1.50	K	NIST
Tc	739.86	K	Relay (1.0) Calculated Property
Tfus	264.20	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	[301.59; 359.81]	J/mol×K	[571.04; 796.48]
Cp,gas	301.59	J/mol×K	571.04	Joback Calculated Property
Cp,gas	313.19	J/mol×K	608.61	Joback Calculated Property
Cp,gas	323.95	J/mol×K	646.19	Joback Calculated Property
Cp,gas	333.92	J/mol×K	683.76	Joback Calculated Property
Cp,gas	343.19	J/mol×K	721.34	Joback Calculated Property
Cp,gas	351.79	J/mol×K	758.91	Joback Calculated Property
Cp,gas	359.81	J/mol×K	796.48	Joback Calculated Property
η	[0.0018420; 0.0036940]	Pa×s	[288.15; 318.15]
η	0.0036940	Pa×s	288.15	Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
η	0.0028310	Pa×s	298.15	Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
η	0.0022530	Pa×s	308.15	Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
η	0.0018420	Pa×s	318.15	Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
ΔvapH	[53.40; 65.30]	kJ/mol	[310.00; 446.00]
ΔvapH	65.30	kJ/mol	310.00	Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach
ΔvapH	59.20	kJ/mol	310.50	NIST
ΔvapH	55.20	kJ/mol	419.50	NIST
ΔvapH	53.40	kJ/mol	446.00	NIST
ρl	1125.00	kg/m3	298.15	Refractive Indices and Surface Tensions of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
γ	[0.03; 0.04]	N/m	[288.15; 358.15]
γ	0.04	N/m	288.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.04	N/m	298.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.04	N/m	308.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	318.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	328.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	338.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	348.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	358.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K

Similar Compounds

Find more compounds similar to Benzoic acid, 2-hydroxy-, ethyl ester.

Mixtures

• Ethanol + Benzoic acid, 2-hydroxy-, ethyl ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach
• Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
• Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
• Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine
• Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
• Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
• Refractive Indices and Surface Tensions of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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