Chemical Properties of methyl gallate

InChI

InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

InChI Key

FBSFWRHWHYMIOG-UHFFFAOYSA-N

Formula

C8H8O5

SMILES

COC(=O)c1cc(O)c(O)c(O)c1

Molecular Weight¹

184.15

Other Names

• benzoic acid, 3,4,5-trihydroxy-, methyl ester
• gallic acid, methyl ester
• methyl 3,4.5-trihydroxybenzoate

• 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).
• 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
ω	0.8677		Relay (1.0) Calculated Property
ΔfH°gas	-807.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.23	kJ/mol	Joback Calculated Property
ΔvapH°	117.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	[-1.24; -1.24]
log10WS	-1.24		Aq. Solubility Prediction
log10WS	-1.24		Estimated Solubility
logPoct/wat	0.590		Crippen Calculated Property
McVol	124.870	ml/mol	McGowan Calculated Property
Pc	6909.85	kPa	Joback Calculated Property
Tboil	583.36	K	Relay (1.0) Calculated Property
Tc	844.11	K	Relay (1.0) Calculated Property
Tfus	504.40	K	Aq. Solubility Prediction
Vc	0.426	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.48; 380.05]	J/mol×K	[709.40; 956.91]
Cp,gas	335.48	J/mol×K	709.40	Joback Calculated Property
Cp,gas	343.12	J/mol×K	750.65	Joback Calculated Property
Cp,gas	350.43	J/mol×K	791.90	Joback Calculated Property
Cp,gas	357.58	J/mol×K	833.15	Joback Calculated Property
Cp,gas	364.77	J/mol×K	874.41	Joback Calculated Property
Cp,gas	372.20	J/mol×K	915.66	Joback Calculated Property
Cp,gas	380.05	J/mol×K	956.91	Joback Calculated Property
η	[0.0000002; 0.0000025]	Pa×s	[583.83; 709.40]
η	0.0000025	Pa×s	583.83	Joback Calculated Property
η	0.0000014	Pa×s	604.76	Joback Calculated Property
η	0.0000009	Pa×s	625.69	Joback Calculated Property
η	0.0000006	Pa×s	646.62	Joback Calculated Property
η	0.0000004	Pa×s	667.54	Joback Calculated Property
η	0.0000002	Pa×s	688.47	Joback Calculated Property
η	0.0000002	Pa×s	709.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to methyl gallate.

Mixtures

• Water + methyl gallate

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Solubilities of Gallic Acid and Its Esters in Water
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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