Chemical Properties of Ethylenediamine-N,N'-disuccinic acid (CAS 20846-91-7)

InChI

InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)

InChI Key

VKZRWSNIWNFCIQ-UHFFFAOYSA-N

Formula

C10H16N2O8

SMILES

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

Molecular Weight¹

292.24

CAS

20846-91-7

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔcH°solid	[-4271.60; -4252.10]	kJ/mol
ΔcH°solid	-4271.60 ± 3.90	kJ/mol	NIST
ΔcH°solid	-4252.10 ± 4.20	kJ/mol	NIST
ΔfH°solid	[-1969.40; -1950.20]	kJ/mol
ΔfH°solid	-1950.20 ± 3.90	kJ/mol	NIST
ΔfH°solid	-1969.40 ± 4.20	kJ/mol	NIST
ΔfusH°	65.38	kJ/mol	Joback Calculated Property
log10WS	-0.07		Relay (1.0) Calculated Property
logPoct/wat	-1.979		Crippen Calculated Property
McVol	201.480	ml/mol	McGowan Calculated Property
Tboil	595.09	K	Relay (1.0) Calculated Property
Tfus	491.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[303.85; 653.21]	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			6.41400e+00
Coefficient B			1.32120e+00
Coefficient C			-9.14200e-04
Coefficient D			2.39800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.85	J/mol×K	273.00	Calculated Property
Cp,gas	370.02	J/mol×K	353.78	Calculated Property
Cp,gas	427.59	J/mol×K	434.56	Calculated Property
Cp,gas	477.31	J/mol×K	515.33	Calculated Property
Cp,gas	519.93	J/mol×K	596.11	Calculated Property
Cp,gas	556.22	J/mol×K	676.89	Calculated Property
Cp,gas	586.94	J/mol×K	757.67	Calculated Property
Cp,gas	612.84	J/mol×K	838.44	Calculated Property
Cp,gas	634.68	J/mol×K	919.22	Calculated Property
Cp,gas	653.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethylenediamine-N,N'-disuccinic acid.

Sources

• 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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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