Chemical Properties of O-Acetylcitric acid triethyl ester (CAS 77-89-4)

InChI

InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3

InChI Key

WEAPVABOECTMGR-UHFFFAOYSA-N

Formula

C14H22O8

SMILES

CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC

Molecular Weight¹

318.32

CAS

77-89-4

Other Names

• 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester
• 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester
• 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, triethyl ester
• ATEC
• Acetyl triethyl citrate
• Citric acid, acetyl triethyl ester
• Citric acid, triethyl ester, acetate
• Citroflex A 2
• NSC 3887
• Tricarballylic acid, «beta»-acetoxytributyl ester
• Triethyl 2-(acetyloxy)-1,2,3-propanetricarboxylate
• Triethyl 2-acetoxy-1,2,3-propanetricarboxylate
• Triethyl O-acetylcitrate
• Triethyl acetylcitrate
• Triethylester kyseliny acetylcitronove
• Uniplex 82
• triethyl 2-acetoxypropane-1,2,3-tricarboxylate
• triethyl 2-acetyloxy-1,2,3-propanetricarboxylate
• triethyl acetyl citrate
• triethyl citrate acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• ρ_l : Liquid Density (kg/m³).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8269		Relay (1.0) Calculated Property
η	0.0465500	Pa×s	Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents
ΔfG°	-865.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1588.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.75	kJ/mol	Joback Calculated Property
ΔvapH°	83.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-1.78		Relay (1.0) Calculated Property
logPoct/wat	0.758		Crippen Calculated Property
McVol	237.880	ml/mol	McGowan Calculated Property
Pc	1796.98	kPa	Joback Calculated Property
Inp	[1730.00; 1730.00]
Inp	1730.00		NIST
Inp	1730.00		NIST
Inp	1730.00		NIST
Tboil	569.51	K	Relay (1.0) Calculated Property
Tc	750.33	K	Relay (1.0) Calculated Property
Tfus	306.36	K	Relay (1.0) Calculated Property
Vc	0.878	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.34; 777.51]	J/mol×K	[821.65; 1019.88]
Cp,gas	717.34	J/mol×K	821.65	Joback Calculated Property
Cp,gas	729.91	J/mol×K	854.69	Joback Calculated Property
Cp,gas	741.48	J/mol×K	887.73	Joback Calculated Property
Cp,gas	752.02	J/mol×K	920.77	Joback Calculated Property
Cp,gas	761.55	J/mol×K	953.80	Joback Calculated Property
Cp,gas	770.05	J/mol×K	986.84	Joback Calculated Property
Cp,gas	777.51	J/mol×K	1019.88	Joback Calculated Property
η	[0.0000512; 0.0004345]	Pa×s	[538.60; 821.65]
η	0.0004345	Pa×s	538.60	Joback Calculated Property
η	0.0002636	Pa×s	585.77	Joback Calculated Property
η	0.0001723	Pa×s	632.95	Joback Calculated Property
η	0.0001194	Pa×s	680.12	Joback Calculated Property
η	0.0000868	Pa×s	727.30	Joback Calculated Property
η	0.0000656	Pa×s	774.47	Joback Calculated Property
η	0.0000512	Pa×s	821.65	Joback Calculated Property
ρl	[1100.50; 1142.10]	kg/m3	[293.15; 338.15]
ρl	1142.10	kg/m3	293.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1137.50	kg/m3	298.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1133.10	kg/m3	303.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1127.60	kg/m3	308.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1124.10	kg/m3	313.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1118.50	kg/m3	318.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1115.10	kg/m3	323.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1110.10	kg/m3	328.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1105.40	kg/m3	333.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1100.50	kg/m3	338.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties

Similar Compounds

Find more compounds similar to O-Acetylcitric acid triethyl ester.

Mixtures

• O-Acetylcitric acid triethyl ester + Sulfur dioxide
• O-Acetylcitric acid triethyl ester + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
• Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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