Chemical Properties of L-Asparagine, hydrate (1:1) (CAS 5794-13-8)

InChI

InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m1./s1

InChI Key

RBMGJIZCEWRQES-HSHFZTNMSA-N

Formula

C4H10N2O4

SMILES

NC(=O)CC(N)C(=O)O.O

Molecular Weight¹

150.13

CAS

5794-13-8

Other Names

• L-Asparagine Monohydrate

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×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	[-1924.70; -1916.60]	kJ/mol
ΔcH°solid	-1916.60 ± 0.79	kJ/mol	NIST
ΔcH°solid	-1924.70	kJ/mol	NIST
ΔfH°solid	-1086.60 ± 0.84	kJ/mol	NIST
ΔfusH°	135.03	kJ/mol	Solubility of L-asparagine monohydrate in water and water-isopropanol mixed solvents: Measurements and thermodynamic modelling
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	-0.42		Relay (1.0) Calculated Property
S°solid,1 bar	[209.62; 213.40]	J/mol×K
S°solid,1 bar	209.62	J/mol×K	NIST
S°solid,1 bar	213.40	J/mol×K	NIST
Tfus	513.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[205.90; 207.90]	J/mol×K	[296.70; 298.15]
Cp,solid	205.90	J/mol×K	296.70	NIST
Cp,solid	207.90	J/mol×K	298.15	NIST

Similar Compounds

Find more compounds similar to L-Asparagine, hydrate (1:1).

Mixtures

• 2-Propanol + L-Asparagine, hydrate (1:1) + Water

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.
• Solubility of L-asparagine monohydrate in water and water-isopropanol mixed solvents: Measurements and thermodynamic modelling
• THE STANDARD ENTHALPIES OF FORMATION OF L-ASPARAGINE AND L-a- GLUTAMINE
• 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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