Chemical Properties of 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tri(4-methylpentyl) ester

InChI

InChI=1S/C26H46O8/c1-19(2)11-8-14-31-23(28)17-26(34-22(7)27,25(30)33-16-10-13-21(5)6)18-24(29)32-15-9-12-20(3)4/h19-21H,8-18H2,1-7H3

InChI Key

KTWCWRHURMHPCW-UHFFFAOYSA-N

Formula

C26H46O8

SMILES

CC(=O)OC(CC(=O)OCCCC(C)C)(CC(=O)OCCCC(C)C)C(=O)OCCCC(C)C

Molecular Weight¹

486.65

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[619.99; 1396.21]	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			5.13710e+01
Coefficient B			2.39824e+00
Coefficient C			-1.19360e-03
Coefficient D			1.40200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	619.99	J/mol×K	273.00	Calculated Property
Cp,gas	756.63	J/mol×K	353.78	Calculated Property
Cp,gas	879.65	J/mol×K	434.56	Calculated Property
Cp,gas	989.47	J/mol×K	515.33	Calculated Property
Cp,gas	1086.54	J/mol×K	596.11	Calculated Property
Cp,gas	1171.31	J/mol×K	676.89	Calculated Property
Cp,gas	1244.22	J/mol×K	757.67	Calculated Property
Cp,gas	1305.71	J/mol×K	838.44	Calculated Property
Cp,gas	1356.23	J/mol×K	919.22	Calculated Property
Cp,gas	1396.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003146; 0.0000065]	Pa×s	[509.52; 882.21]	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			-1.72325e+01
Coefficient B			4.67148e+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.			509.52
Temperature range, max.			882.21
η	0.0003146	Pa×s	509.52	Calculated Property
η	0.0001580	Pa×s	550.93	Calculated Property
η	0.0000873	Pa×s	592.34	Calculated Property
η	0.0000522	Pa×s	633.75	Calculated Property
η	0.0000332	Pa×s	675.16	Calculated Property
η	0.0000222	Pa×s	716.57	Calculated Property
η	0.0000156	Pa×s	757.98	Calculated Property
η	0.0000113	Pa×s	799.39	Calculated Property
η	0.0000085	Pa×s	840.80	Calculated Property
η	0.0000065	Pa×s	882.21	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tri(4-methylpentyl) ester.

Sources

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

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