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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[357.78; 386.40]	J/mol×K	[787.27; 970.10]
Cp,gas	357.78	J/mol×K	787.27	Joback Calculated Property
Cp,gas	363.45	J/mol×K	817.74	Joback Calculated Property
Cp,gas	368.74	J/mol×K	848.21	Joback Calculated Property
Cp,gas	373.66	J/mol×K	878.68	Joback Calculated Property
Cp,gas	378.23	J/mol×K	909.16	Joback Calculated Property
Cp,gas	382.47	J/mol×K	939.63	Joback Calculated Property
Cp,gas	386.40	J/mol×K	970.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, nitrilotri-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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