Chemical Properties of N-(2-Hydroxyethyl)iminodiacetic acid (CAS 93-62-9)

InChI

InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)

InChI Key

JYXGIOKAKDAARW-UHFFFAOYSA-N

Formula

C6H11NO5

SMILES

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

Molecular Weight¹

177.16

CAS

93-62-9

Other Names

• (2-Hydroxyethyl)iminodiacetic acid
• (Hydroxyethylimino)diacetic acid
• 2-Hydroxyethylaminodiacetic acid
• Acetic acid, (hydroxyethyl)iminodi-
• Acetic acid, [(2-hydroxyethyl)imino]di-
• Ethanolamine-N,N-diacetic acid
• Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-
• HEIDA
• Hydroxyethylnitrilodiacetic acid
• N-(2-Hydroxyethyl)imidodiacetic acid
• N-(«beta»-Hydroxyethyl)Iminodiacetic acid
• N-Hydroxyethyliminodiacetic acid
• NSC 18474
• USAF DO-37
• [(«beta»-Hydroxyethyl)imino]diacetic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[188.02; 407.13]	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			1.23400e+00
Coefficient B			8.33300e-01
Coefficient C			-5.90800e-04
Coefficient D			1.63400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.02	J/mol×K	273.00	Calculated Property
Cp,gas	229.33	J/mol×K	353.78	Calculated Property
Cp,gas	265.19	J/mol×K	434.56	Calculated Property
Cp,gas	296.13	J/mol×K	515.33	Calculated Property
Cp,gas	322.65	J/mol×K	596.11	Calculated Property
Cp,gas	345.27	J/mol×K	676.89	Calculated Property
Cp,gas	364.51	J/mol×K	757.67	Calculated Property
Cp,gas	380.89	J/mol×K	838.44	Calculated Property
Cp,gas	394.93	J/mol×K	919.22	Calculated Property
Cp,gas	407.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-(2-Hydroxyethyl)iminodiacetic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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