Chemical Properties of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripropyl ester (CAS 1587-21-9)

InChI

InChI=1S/C15H26O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h19H,4-11H2,1-3H3

InChI Key

ODHUFJLMXDXVRC-UHFFFAOYSA-N

Formula

C15H26O7

SMILES

CCCOC(=O)CC(O)(CC(=O)OCCC)C(=O)OCCC

Molecular Weight¹

318.36

CAS

1587-21-9

Other Names

• tripropyl citrate

• 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	[383.74; 837.66]	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			4.62980e+01
Coefficient B			1.42426e+00
Coefficient C			-7.10600e-04
Coefficient D			7.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.74	J/mol×K	273.00	Calculated Property
Cp,gas	464.67	J/mol×K	353.78	Calculated Property
Cp,gas	537.41	J/mol×K	434.56	Calculated Property
Cp,gas	602.19	J/mol×K	515.33	Calculated Property
Cp,gas	659.26	J/mol×K	596.11	Calculated Property
Cp,gas	708.88	J/mol×K	676.89	Calculated Property
Cp,gas	751.28	J/mol×K	757.67	Calculated Property
Cp,gas	786.71	J/mol×K	838.44	Calculated Property
Cp,gas	815.42	J/mol×K	919.22	Calculated Property
Cp,gas	837.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008847; 0.0000194]	Pa×s	[449.04; 694.56]	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			-1.78358e+01
Coefficient B			4.85213e+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.			449.04
Temperature range, max.			694.56
η	0.0008847	Pa×s	449.04	Calculated Property
η	0.0004765	Pa×s	476.32	Calculated Property
η	0.0002744	Pa×s	503.60	Calculated Property
η	0.0001672	Pa×s	530.88	Calculated Property
η	0.0001070	Pa×s	558.16	Calculated Property
η	0.0000714	Pa×s	585.44	Calculated Property
η	0.0000493	Pa×s	612.72	Calculated Property
η	0.0000352	Pa×s	640.00	Calculated Property
η	0.0000258	Pa×s	667.28	Calculated Property
η	0.0000194	Pa×s	694.56	Calculated Property

Similar Compounds

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

Sources

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

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