- InChI
- InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
- InChI Key
- DCXYFEDJOCDNAF-UWTATZPHSA-N
- Formula
- C4H8N2O3
- SMILES
- NC(=O)CC(N)C(=O)O
- Molecular Weight1
- 132.12
- CAS
- 70-47-3
- Other Names
-
- (-)-Asparagine
- (S)-2,4-Diamino-4-oxobutanoic acid
- (S)-Asparagine
- Agedoite
- Altheine
- Asn
- Asparagine
- Asparagine acid
- Asparagine l(-)
- Asparagine, L-
- Asparamide
- Aspartamic acid
- Aspartic acid «beta» amide
- Butanoic acid, 2,4-diamino-4-oxo-, (S)-
- Crystal VI
- L-2,4-Diamino-4-oxobutanoic acid
- L-asparagine (anhydrous)
- L-«beta»-Asparagine
- NSC 82391
- «alpha»-Aminosuccinamic acid
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- SProt : Protonation entropy at 298K (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | [929.00; 965.20] | kJ/mol |
|
| PAff | 929.00 | kJ/mol | NIST |
| PAff | 965.20 ± 5.20 | kJ/mol | NIST |
| PAff | 937.60 | kJ/mol | NIST |
| BasG | [891.50; 920.00] | kJ/mol |
|
| BasG | 891.50 | kJ/mol | NIST |
| BasG | 920.00 ± 5.60 | kJ/mol | NIST |
| ΔcH°solid | -1928.50 ± 0.71 | kJ/mol | NIST |
| SProt | -43.00 ± 7.00 | J/mol×K | NIST |
| ΔfH°gas | -605.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -789.02 | kJ/mol | NIST |
| ΔfusH° | 112.48 | kJ/mol | THE STANDARD ENTHALPIES OF FORMATION OF L-ASPARAGINE AND L-a- GLUTAMINE |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.83 | Aq. Solubility Prediction | |
| logPoct/wat | -1.726 | Crippen Calculated Property | |
| McVol | 96.190 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | 174.50 | J/mol×K | NIST |
| Tfus | 507.65 | K | Aq. Solubility Prediction |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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,gas | [246.60; 282.99] | J/mol×K | [635.12; 861.10] |
|
| Cp,gas | 246.60 | J/mol×K | 635.12 | Joback Calculated Property |
| Cp,gas | 253.88 | J/mol×K | 672.78 | Joback Calculated Property |
| Cp,gas | 260.64 | J/mol×K | 710.45 | Joback Calculated Property |
| Cp,gas | 266.90 | J/mol×K | 748.11 | Joback Calculated Property |
| Cp,gas | 272.70 | J/mol×K | 785.78 | Joback Calculated Property |
| Cp,gas | 278.06 | J/mol×K | 823.44 | Joback Calculated Property |
| Cp,gas | 282.99 | J/mol×K | 861.10 | Joback Calculated Property |
| Cp,solid | 159.80 | J/mol×K | 296.50 | NIST |
Similar Compounds
Find more compounds similar to L-Asparagine.
Mixtures
- Sucrose + L-Asparagine + Water
- L-Asparagine + 2,3-Butanediol + Water
- d-Mannose + L-Asparagine + Water
- L-Asparagine + Water
- sodium chloride + L-Asparagine + Water
- L-Asparagine + Sodium nitrate + Water
- Potassium nitrate + L-Asparagine + Water
- Ethanol + L-Asparagine + Water
- Ethanol + L-Asparagine
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
- Effect of hydrophilic additives on volumetric and viscosity properties of amino acids in aqueous solutions at T = (283.15 to 333.15) K
- Study of the interactions of PAMAM-NH2 G4 dendrimer with selected natural amino acids in aqueous solutions
- Physicochemical study of (solute + solute) and (solute + solvent) interactions of L-asparagine and L-glutamine in aqueous-D-mannose solutions at temperatures from (293.15 to 318.15) K
- Intermolecular/interionic interactions in l-leucine-, l-asparagine-, and glycylglycine-aqueous electrolyte systems
- THE STANDARD ENTHALPIES OF FORMATION OF L-ASPARAGINE AND L-a- GLUTAMINE
- Solubility of the Proteinogenic a-Amino Acids in Water, Ethanol, and Ethanol-Water Mixtures
- Joback Method
- Aqueous Solubility Prediction 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.
These property values are available through the Cheméo API. A free account gives you an access key.