Chemical Properties of Ethyl gallate (CAS 831-61-8)

InChI

InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3

InChI Key

VFPFQHQNJCMNBZ-UHFFFAOYSA-N

Formula

C9H10O5

SMILES

CCOC(=O)c1cc(O)c(O)c(O)c1

Molecular Weight¹

198.17

CAS

831-61-8

Other Names

• Ethyl 3,4,5-trihydroxybenzoate
• Benzoic acid, 3,4,5-trihydroxy-, ethyl ester
• Gallic acid ethyl ester
• Nipa No. 48
• Nipagallin A
• Phyllemblin
• Progallin A
• 3,4,5-Trihydroxybenzoic acid ethyl ester
• Ethylester kyseliny gallove
• NSC 402626
• Gallic 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).
• 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

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	[206.15; 440.49]	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			-4.05490e+01
Coefficient B			1.18892e+00
Coefficient C			-1.17148e-03
Coefficient D			4.63600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.15	J/mol×K	273.00	Calculated Property
Cp,gas	253.97	J/mol×K	353.78	Calculated Property
Cp,gas	292.93	J/mol×K	434.56	Calculated Property
Cp,gas	324.48	J/mol×K	515.33	Calculated Property
Cp,gas	350.10	J/mol×K	596.11	Calculated Property
Cp,gas	371.25	J/mol×K	676.89	Calculated Property
Cp,gas	389.40	J/mol×K	757.67	Calculated Property
Cp,gas	406.01	J/mol×K	838.44	Calculated Property
Cp,gas	422.55	J/mol×K	919.22	Calculated Property
Cp,gas	440.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000019; 0.0000003]	Pa×s	[595.10; 682.21]	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			-2.84949e+01
Coefficient B			9.11936e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			595.10
Temperature range, max.			682.21
η	0.0000019	Pa×s	595.10	Calculated Property
η	0.0000015	Pa×s	604.78	Calculated Property
η	0.0000012	Pa×s	614.46	Calculated Property
η	0.0000009	Pa×s	624.14	Calculated Property
η	0.0000007	Pa×s	633.82	Calculated Property
η	0.0000006	Pa×s	643.50	Calculated Property
η	0.0000005	Pa×s	653.18	Calculated Property
η	0.0000004	Pa×s	662.85	Calculated Property
η	0.0000003	Pa×s	672.53	Calculated Property
η	0.0000003	Pa×s	682.21	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl gallate.

Sources

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

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