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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.29; 465.48]	J/mol×K	[675.65; 900.45]
Cp,gas	407.29	J/mol×K	675.65	Joback Calculated Property
Cp,gas	418.76	J/mol×K	713.12	Joback Calculated Property
Cp,gas	429.45	J/mol×K	750.58	Joback Calculated Property
Cp,gas	439.40	J/mol×K	788.05	Joback Calculated Property
Cp,gas	448.69	J/mol×K	825.52	Joback Calculated Property
Cp,gas	457.36	J/mol×K	862.98	Joback Calculated Property
Cp,gas	465.48	J/mol×K	900.45	Joback Calculated Property
η	[0.0000189; 0.0004545]	Pa×s	[456.65; 675.65]
η	0.0004545	Pa×s	456.65	Joback Calculated Property
η	0.0002200	Pa×s	493.15	Joback Calculated Property
η	0.0001177	Pa×s	529.65	Joback Calculated Property
η	0.0000682	Pa×s	566.15	Joback Calculated Property
η	0.0000423	Pa×s	602.65	Joback Calculated Property
η	0.0000277	Pa×s	639.15	Joback Calculated Property
η	0.0000189	Pa×s	675.65	Joback 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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