Chemical Properties of Acetic acid, nitrilotri- (CAS 139-13-9)

InChI

InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)

InChI Key

MGFYIUFZLHCRTH-UHFFFAOYSA-N

Formula

C6H9NO6

SMILES

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

Molecular Weight¹

191.14

CAS

139-13-9

Other Names

• nitrilotriacetic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[189.14; 399.24]	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			5.43000e-01
Coefficient B			8.50100e-01
Coefficient C			-6.33000e-04
Coefficient D			1.81600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.14	J/mol×K	273.00	Calculated Property
Cp,gas	230.10	J/mol×K	353.78	Calculated Property
Cp,gas	265.33	J/mol×K	434.56	Calculated Property
Cp,gas	295.38	J/mol×K	515.33	Calculated Property
Cp,gas	320.83	J/mol×K	596.11	Calculated Property
Cp,gas	342.26	J/mol×K	676.89	Calculated Property
Cp,gas	360.24	J/mol×K	757.67	Calculated Property
Cp,gas	375.35	J/mol×K	838.44	Calculated Property
Cp,gas	388.16	J/mol×K	919.22	Calculated Property
Cp,gas	399.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, nitrilotri-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Transfer Enthalpies of Amino Acids and Glycine Peptides from Water to Aqueous Solutions of Sugar Alcohol at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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