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

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-251.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-414.67	kJ/mol	Joback Calculated Property
ΔfusH°	21.68	kJ/mol	Joback Calculated Property
ΔvapH°	60.07	kJ/mol	Joback Calculated Property
log10WS	-1.68		Crippen Calculated Property
logPoct/wat	1.569		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	4130.29	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	1286.00		NIST
Inp	1267.00		NIST
Inp	1272.00		NIST
Inp	1270.00		NIST
Inp	1265.00		NIST
Inp	1280.00		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	816.64	K	Joback Calculated Property
Tfus	401.49	K	Joback Calculated Property
Vc	0.421	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[304.03; 361.35]	J/mol×K	[588.91; 816.64]
Cp,gas	304.03	J/mol×K	588.91	Joback Calculated Property
Cp,gas	315.28	J/mol×K	626.86	Joback Calculated Property
Cp,gas	325.77	J/mol×K	664.82	Joback Calculated Property
Cp,gas	335.56	J/mol×K	702.77	Joback Calculated Property
Cp,gas	344.71	J/mol×K	740.73	Joback Calculated Property
Cp,gas	353.29	J/mol×K	778.68	Joback Calculated Property
Cp,gas	361.35	J/mol×K	816.64	Joback Calculated Property
η	[0.0018420; 0.0036940]	Pa×s	[288.15; 318.15]
η	0.0036940	Pa×s	288.15	Densiti...
η	0.0028310	Pa×s	298.15	Densiti...
η	0.0022530	Pa×s	308.15	Densiti...
η	0.0018420	Pa×s	318.15	Densiti...
ΔvapH	[53.40; 65.30]	kJ/mol	[310.00; 446.00]
ΔvapH	65.30	kJ/mol	310.00	Gas-pha...
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	Refract...
γ	[0.03; 0.04]	N/m	[288.15; 358.15]
γ	0.04	N/m	288.15	Densiti...
γ	0.04	N/m	298.15	Densiti...
γ	0.04	N/m	308.15	Densiti...
γ	0.03	N/m	318.15	Densiti...
γ	0.03	N/m	328.15	Densiti...
γ	0.03	N/m	338.15	Densiti...
γ	0.03	N/m	348.15	Densiti...
γ	0.03	N/m	358.15	Densiti...

Similar Compounds

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

Mixtures

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

Sources

• Crippen Method
• Crippen Method
• Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach
• 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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