Chemical Properties of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester (CAS 16544-70-0)

InChI

InChI=1S/C24H44O7/c1-4-7-10-13-16-29-21(25)19-24(28,23(27)31-18-15-12-9-6-3)20-22(26)30-17-14-11-8-5-2/h28H,4-20H2,1-3H3

InChI Key

AMMPRZCMKXDUNE-UHFFFAOYSA-N

Formula

C24H44O7

SMILES

CCCCCCOC(=O)CC(O)(CC(=O)OCCCCCC)C(=O)OCCCCCC

Molecular Weight¹

444.60

CAS

16544-70-0

• 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).
• 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).
• 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 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	[574.67; 1301.98]	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			3.81170e+01
Coefficient B			2.27926e+00
Coefficient C			-1.20020e-03
Coefficient D			1.84800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	574.67	J/mol×K	273.00	Calculated Property
Cp,gas	702.44	J/mol×K	353.78	Calculated Property
Cp,gas	817.10	J/mol×K	434.56	Calculated Property
Cp,gas	919.25	J/mol×K	515.33	Calculated Property
Cp,gas	1009.47	J/mol×K	596.11	Calculated Property
Cp,gas	1088.33	J/mol×K	676.89	Calculated Property
Cp,gas	1156.43	J/mol×K	757.67	Calculated Property
Cp,gas	1214.35	J/mol×K	838.44	Calculated Property
Cp,gas	1262.67	J/mol×K	919.22	Calculated Property
Cp,gas	1301.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001312; 0.0000027]	Pa×s	[550.47; 879.71]	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			-1.92928e+01
Coefficient B			5.69957e+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.			550.47
Temperature range, max.			879.71
η	0.0001312	Pa×s	550.47	Calculated Property
η	0.0000688	Pa×s	587.05	Calculated Property
η	0.0000389	Pa×s	623.63	Calculated Property
η	0.0000235	Pa×s	660.22	Calculated Property
η	0.0000149	Pa×s	696.80	Calculated Property
η	0.0000099	Pa×s	733.38	Calculated Property
η	0.0000069	Pa×s	769.96	Calculated Property
η	0.0000049	Pa×s	806.55	Calculated Property
η	0.0000036	Pa×s	843.13	Calculated Property
η	0.0000027	Pa×s	879.71	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester.

Sources

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

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