Chemical Properties of Ethyl 5-acetyl-2-hydroxybenzoate

InChI

InChI=1S/C11H12O4/c1-3-15-11(14)9-6-8(7(2)12)4-5-10(9)13/h4-6,13H,3H2,1-2H3

InChI Key

VGKYNVLECUYQIL-UHFFFAOYSA-N

Formula

C11H12O4

SMILES

CCOC(=O)c1cc(C(C)=O)ccc1O

Molecular Weight¹

208.21

Other Names

• 5-Acetyl-2-hydroxybenzoic acid, ethyl ester

• 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).
• I_np : Non-polar retention indices.
• 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	0.7388		Relay (1.0) Calculated Property
ΔfH°gas	-688.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.65	kJ/mol	Joback Calculated Property
ΔvapH°	78.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-2.68		Relay (1.0) Calculated Property
logPoct/wat	1.771		Crippen Calculated Property
McVol	156.970	ml/mol	McGowan Calculated Property
Pc	3299.15	kPa	Joback Calculated Property
Inp	[1714.00; 1714.00]
Inp	1714.00		NIST
Inp	1714.00		NIST
Tboil	570.96	K	Relay (1.0) Calculated Property
Tc	798.46	K	Relay (1.0) Calculated Property
Tfus	341.56	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.28; 484.81]	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			-2.86900e+00
Coefficient B			9.82240e-01
Coefficient C			-6.81820e-04
Coefficient D			1.87260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.28	J/mol×K	273.00	Calculated Property
Cp,gas	267.58	J/mol×K	353.78	Calculated Property
Cp,gas	310.58	J/mol×K	434.56	Calculated Property
Cp,gas	347.87	J/mol×K	515.33	Calculated Property
Cp,gas	380.04	J/mol×K	596.11	Calculated Property
Cp,gas	407.68	J/mol×K	676.89	Calculated Property
Cp,gas	431.38	J/mol×K	757.67	Calculated Property
Cp,gas	451.75	J/mol×K	838.44	Calculated Property
Cp,gas	469.36	J/mol×K	919.22	Calculated Property
Cp,gas	484.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004545; 0.0000305]	Pa×s	[456.65; 630.32]	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			-1.75004e+01
Coefficient B			4.47705e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			456.65
Temperature range, max.			630.32
η	0.0004545	Pa×s	456.65	Calculated Property
η	0.0003054	Pa×s	475.95	Calculated Property
η	0.0002117	Pa×s	495.24	Calculated Property
η	0.0001508	Pa×s	514.54	Calculated Property
η	0.0001101	Pa×s	533.84	Calculated Property
η	0.0000822	Pa×s	553.13	Calculated Property
η	0.0000626	Pa×s	572.43	Calculated Property
η	0.0000485	Pa×s	591.72	Calculated Property
η	0.0000382	Pa×s	611.02	Calculated Property
η	0.0000305	Pa×s	630.32	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 5-acetyl-2-hydroxybenzoate.

Sources

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

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