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°	-1171.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1588.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.08	kJ/mol	Joback Calculated Property
ΔvapH°	84.28	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	1570.96	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	755.43	K	Relay (1.0) Calculated Property
Tfus	301.24	K	Relay (1.0) Calculated Property
Vc	0.880	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[698.23; 762.58]	J/mol×K	[749.57; 937.84]
Cp,gas	698.23	J/mol×K	749.57	Joback Calculated Property
Cp,gas	711.58	J/mol×K	780.95	Joback Calculated Property
Cp,gas	723.89	J/mol×K	812.33	Joback Calculated Property
Cp,gas	735.14	J/mol×K	843.71	Joback Calculated Property
Cp,gas	745.33	J/mol×K	875.08	Joback Calculated Property
Cp,gas	754.48	J/mol×K	906.46	Joback Calculated Property
Cp,gas	762.58	J/mol×K	937.84	Joback Calculated Property
η	[0.0000339; 0.0012423]	Pa×s	[419.28; 749.57]
η	0.0012423	Pa×s	419.28	Joback Calculated Property
η	0.0004810	Pa×s	474.33	Joback Calculated Property
η	0.0002269	Pa×s	529.38	Joback Calculated Property
η	0.0001233	Pa×s	584.42	Joback Calculated Property
η	0.0000744	Pa×s	639.47	Joback Calculated Property
η	0.0000486	Pa×s	694.52	Joback Calculated Property
η	0.0000339	Pa×s	749.57	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.