Chemical Properties of TRIPENTYL CITRATE

InChI

InChI=1S/C21H38O7/c1-4-7-10-13-26-18(22)16-21(25,20(24)28-15-12-9-6-3)17-19(23)27-14-11-8-5-2/h25H,4-17H2,1-3H3

InChI Key

DXRFOGXSSDRZFP-UHFFFAOYSA-N

Formula

C21H38O7

SMILES

CCCCCOC(=O)CC(O)(CC(=O)OCCCCC)C(=O)OCCCCC

Molecular Weight¹

402.53

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.02; 1147.20]	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			4.08440e+01
Coefficient B			1.99426e+00
Coefficient C			-1.03700e-03
Coefficient D			1.49100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	511.02	J/mol×K	273.00	Calculated Property
Cp,gas	623.18	J/mol×K	353.78	Calculated Property
Cp,gas	723.87	J/mol×K	434.56	Calculated Property
Cp,gas	813.56	J/mol×K	515.33	Calculated Property
Cp,gas	892.73	J/mol×K	596.11	Calculated Property
Cp,gas	961.85	J/mol×K	676.89	Calculated Property
Cp,gas	1021.38	J/mol×K	757.67	Calculated Property
Cp,gas	1071.80	J/mol×K	838.44	Calculated Property
Cp,gas	1113.59	J/mol×K	919.22	Calculated Property
Cp,gas	1147.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002459; 0.0000055]	Pa×s	[516.66; 811.17]	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			-1.87952e+01
Coefficient B			5.41709e+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.			516.66
Temperature range, max.			811.17
η	0.0002459	Pa×s	516.66	Calculated Property
η	0.0001317	Pa×s	549.38	Calculated Property
η	0.0000757	Pa×s	582.11	Calculated Property
η	0.0000461	Pa×s	614.83	Calculated Property
η	0.0000295	Pa×s	647.55	Calculated Property
η	0.0000198	Pa×s	680.28	Calculated Property
η	0.0000137	Pa×s	713.00	Calculated Property
η	0.0000098	Pa×s	745.73	Calculated Property
η	0.0000072	Pa×s	778.45	Calculated Property
η	0.0000055	Pa×s	811.17	Calculated Property

Similar Compounds

Find more compounds similar to TRIPENTYL CITRATE.

Sources

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

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