Chemical Properties of ACETYL TRIS(2-ETHYLHEXYL)CITRATE

InChI

InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3

InChI Key

FRDNONBEXWDRDM-UHFFFAOYSA-N

Formula

C32H58O8

SMILES

CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(OC(C)=O)C(=O)OCC(CC)CCCC

Molecular Weight¹

570.81

Other Names

• O-Acetyl tris(2-ethylhexyl)citrate
• Acetyl-tris-(2-ethylhexyl) citrate
• Citric acid, tris[2-ethylhexyl] ester, acetate
• tris(2-ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[747.27; 1705.76]	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			4.59170e+01
Coefficient B			2.96824e+00
Coefficient C			-1.52000e-03
Coefficient D			2.11600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	747.27	J/mol×K	273.00	Calculated Property
Cp,gas	915.14	J/mol×K	353.78	Calculated Property
Cp,gas	1066.11	J/mol×K	434.56	Calculated Property
Cp,gas	1200.84	J/mol×K	515.33	Calculated Property
Cp,gas	1320.01	J/mol×K	596.11	Calculated Property
Cp,gas	1424.28	J/mol×K	676.89	Calculated Property
Cp,gas	1514.32	J/mol×K	757.67	Calculated Property
Cp,gas	1590.80	J/mol×K	838.44	Calculated Property
Cp,gas	1654.39	J/mol×K	919.22	Calculated Property
Cp,gas	1705.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001017; 0.0000018]	Pa×s	[577.14; 1038.07]	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			-1.82669e+01
Coefficient B			5.23644e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			577.14
Temperature range, max.			1038.07
η	0.0001017	Pa×s	577.14	Calculated Property
η	0.0000485	Pa×s	628.35	Calculated Property
η	0.0000259	Pa×s	679.57	Calculated Property
η	0.0000151	Pa×s	730.78	Calculated Property
η	0.0000094	Pa×s	782.00	Calculated Property
η	0.0000063	Pa×s	833.21	Calculated Property
η	0.0000043	Pa×s	884.42	Calculated Property
η	0.0000031	Pa×s	935.64	Calculated Property
η	0.0000024	Pa×s	986.85	Calculated Property
η	0.0000018	Pa×s	1038.07	Calculated Property

Similar Compounds

Find more compounds similar to ACETYL TRIS(2-ETHYLHEXYL)CITRATE.

Sources

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

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