Chemical Properties of 1,3,5-Pentanetricarboxylic acid, 3-hydroxy-2-methyl, trimethyl ester

InChI

InChI=1S/C11H18O7/c1-16-8(12)4-6-11(15,10(14)18-3)7-5-9(13)17-2/h15H,4-7H2,1-3H3

InChI Key

XUAJBOMRONHLNB-UHFFFAOYSA-N

Formula

C11H18O7

SMILES

COC(=O)CCC(O)(CCC(=O)OC)C(=O)OC

Molecular Weight¹

262.26

• 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).
• I_np : Non-polar retention indices.
• 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	[298.89; 631.29]	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			4.99340e+01
Coefficient B			1.04426e+00
Coefficient C			-4.93000e-04
Coefficient D			3.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.89	J/mol×K	273.00	Calculated Property
Cp,gas	359.00	J/mol×K	353.78	Calculated Property
Cp,gas	413.10	J/mol×K	434.56	Calculated Property
Cp,gas	461.27	J/mol×K	515.33	Calculated Property
Cp,gas	503.62	J/mol×K	596.11	Calculated Property
Cp,gas	540.24	J/mol×K	676.89	Calculated Property
Cp,gas	571.22	J/mol×K	757.67	Calculated Property
Cp,gas	596.66	J/mol×K	838.44	Calculated Property
Cp,gas	616.65	J/mol×K	919.22	Calculated Property
Cp,gas	631.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021236; 0.0000410]	Pa×s	[403.96; 627.61]	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			-1.72337e+01
Coefficient B			4.47549e+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.			403.96
Temperature range, max.			627.61
η	0.0021236	Pa×s	403.96	Calculated Property
η	0.0011175	Pa×s	428.81	Calculated Property
η	0.0006309	Pa×s	453.66	Calculated Property
η	0.0003780	Pa×s	478.51	Calculated Property
η	0.0002382	Pa×s	503.36	Calculated Property
η	0.0001568	Pa×s	528.21	Calculated Property
η	0.0001071	Pa×s	553.06	Calculated Property
η	0.0000756	Pa×s	577.91	Calculated Property
η	0.0000550	Pa×s	602.76	Calculated Property
η	0.0000410	Pa×s	627.61	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Pentanetricarboxylic acid, 3-hydroxy-2-methyl, trimethyl ester.

Sources

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

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