Chemical Properties of Tricarballylic acid (CAS 99-14-9)

InChI

InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChI Key

KQTIIICEAUMSDG-UHFFFAOYSA-N

Formula

C6H8O6

SMILES

O=C(O)CC(CC(=O)O)C(=O)O

Molecular Weight¹

176.12

CAS

99-14-9

Other Names

• 1,2,3-Propanetricarboxylic acid
• «beta»-Carboxyglutaric acid
• Carballylic acid
• Propane 1,2,3-tricarboxylic acid
• Tricarballylate

• 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	[173.32; 361.75]	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			9.55200e+00
Coefficient B			7.32100e-01
Coefficient C			-5.23600e-04
Coefficient D			1.43700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.32	J/mol×K	273.00	Calculated Property
Cp,gas	209.38	J/mol×K	353.78	Calculated Property
Cp,gas	240.61	J/mol×K	434.56	Calculated Property
Cp,gas	267.44	J/mol×K	515.33	Calculated Property
Cp,gas	290.34	J/mol×K	596.11	Calculated Property
Cp,gas	309.77	J/mol×K	676.89	Calculated Property
Cp,gas	326.16	J/mol×K	757.67	Calculated Property
Cp,gas	339.99	J/mol×K	838.44	Calculated Property
Cp,gas	351.70	J/mol×K	919.22	Calculated Property
Cp,gas	361.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004028; 0.0002407]	Pa×s	[624.18; 693.40]	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			-1.29758e+01
Coefficient B			3.22004e+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.			624.18
Temperature range, max.			693.40
η	0.0004028	Pa×s	624.18	Calculated Property
η	0.0003783	Pa×s	631.87	Calculated Property
η	0.0003558	Pa×s	639.56	Calculated Property
η	0.0003352	Pa×s	647.25	Calculated Property
η	0.0003161	Pa×s	654.95	Calculated Property
η	0.0002986	Pa×s	662.64	Calculated Property
η	0.0002824	Pa×s	670.33	Calculated Property
η	0.0002674	Pa×s	678.02	Calculated Property
η	0.0002536	Pa×s	685.71	Calculated Property
η	0.0002407	Pa×s	693.40	Calculated Property

Similar Compounds

Find more compounds similar to Tricarballylic acid.

Sources

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

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