Chemical Properties of ETHYL 3-HYDROXYBENZOATE

InChI

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

InChI Key

MWSMNBYIEBRXAL-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

CCOC(=O)c1cccc(O)c1

Molecular Weight¹

166.18

Other Names

• 3-hydroxybenzoic acid ethyl ester
• benzoic acid, 3-hydroxy-, ethyl ester
• benzoic acid, m-hydroxy-, ethyl ester
• ethyl m-hydroxybenzoate
• m-Hydroxybenzoic acid ethyl ester
• m-ethoxycarbonylphenol

• 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).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[460.70; 484.20]	K	[4.10; 8.70]
Tboilr	460.70	K	4.10	NIST
Tboilr	484.20	K	8.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.37; 395.65]	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			-2.27090e+01
Coefficient B			8.79720e-01
Coefficient C			-6.58760e-04
Coefficient D			1.97400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.37	J/mol×K	273.00	Calculated Property
Cp,gas	214.81	J/mol×K	353.78	Calculated Property
Cp,gas	251.38	J/mol×K	434.56	Calculated Property
Cp,gas	282.71	J/mol×K	515.33	Calculated Property
Cp,gas	309.43	J/mol×K	596.11	Calculated Property
Cp,gas	332.15	J/mol×K	676.89	Calculated Property
Cp,gas	351.52	J/mol×K	757.67	Calculated Property
Cp,gas	368.14	J/mol×K	838.44	Calculated Property
Cp,gas	382.64	J/mol×K	919.22	Calculated Property
Cp,gas	395.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041762; 0.0000488]	Pa×s	[347.15; 557.54]	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			-1.72710e+01
Coefficient B			4.09380e+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.			347.15
Temperature range, max.			557.54
η	0.0041762	Pa×s	347.15	Calculated Property
η	0.0019846	Pa×s	370.53	Calculated Property
η	0.0010302	Pa×s	393.90	Calculated Property
η	0.0005755	Pa×s	417.28	Calculated Property
η	0.0003420	Pa×s	440.66	Calculated Property
η	0.0002142	Pa×s	464.03	Calculated Property
η	0.0001403	Pa×s	487.41	Calculated Property
η	0.0000955	Pa×s	510.79	Calculated Property
η	0.0000673	Pa×s	534.16	Calculated Property
η	0.0000488	Pa×s	557.54	Calculated Property

Similar Compounds

Find more compounds similar to ETHYL 3-HYDROXYBENZOATE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach
• Joback Method
• McGowan Method
• NIST Webbook

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