Chemical Properties of Lauryl gallate (CAS 1166-52-5)

InChI

InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3

InChI Key

RPWFJAMTCNSJKK-UHFFFAOYSA-N

Formula

C19H30O5

SMILES

CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1

Molecular Weight¹

338.44

CAS

1166-52-5

Other Names

• Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester
• Dodecyl 3,4,5-trihydroxybenzoate
• Dodecyl gallate
• Dodecylester kyseliny gallove
• Gallic acid n-dodecyl ester
• Gallic acid, dodecyl ester
• Gallic acid, lauryl ester
• Lauryl 3,4,5-trihydroxybenzoate
• NSC 133463
• Nipagallin LA
• Progallin LA
• n-Dodecyl gallate

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[418.29; 956.40]	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			-4.96390e+01
Coefficient B			2.13892e+00
Coefficient C			-1.71548e-03
Coefficient D			5.82600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.29	J/mol×K	273.00	Calculated Property
Cp,gas	518.15	J/mol×K	353.78	Calculated Property
Cp,gas	603.70	J/mol×K	434.56	Calculated Property
Cp,gas	676.77	J/mol×K	515.33	Calculated Property
Cp,gas	739.21	J/mol×K	596.11	Calculated Property
Cp,gas	792.86	J/mol×K	676.89	Calculated Property
Cp,gas	839.56	J/mol×K	757.67	Calculated Property
Cp,gas	881.16	J/mol×K	838.44	Calculated Property
Cp,gas	919.49	J/mol×K	919.22	Calculated Property
Cp,gas	956.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000001; 1.8580287e-08]	Pa×s	[707.80; 828.17]	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			-2.99496e+01
Coefficient B			1.00610e+04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			707.80
Temperature range, max.			828.17
η	0.0000001	Pa×s	707.80	Calculated Property
η	0.0000001	Pa×s	721.17	Calculated Property
η	8.7394025e-08	Pa×s	734.55	Calculated Property
η	6.8409124e-08	Pa×s	747.92	Calculated Property
η	5.4011164e-08	Pa×s	761.30	Calculated Property
η	4.2992897e-08	Pa×s	774.67	Calculated Property
η	3.4488406e-08	Pa×s	788.04	Calculated Property
η	2.7870477e-08	Pa×s	801.42	Calculated Property
η	2.2680531e-08	Pa×s	814.79	Calculated Property
η	1.8580287e-08	Pa×s	828.17	Calculated Property

Similar Compounds

Find more compounds similar to Lauryl gallate.

Sources

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

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