- InChI
- InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
- InChI Key
- CKLJMWTZIZZHCS-UWTATZPHSA-N
- Formula
- C4H7NO4
- SMILES
- NC(CC(=O)O)C(=O)O
- Molecular Weight1
- 133.10
- CAS
- 56-84-8
- Other Names
-
- (2S)-Aspartic acid
- (R)-aspartic acid
- (S)-Aminobutanedioic acid
- (S)-Aspartic acid
- Aminosuccinic acid
- Asparagic acid
- Asparaginic acid
- Aspartic acid, L-
- Aspatofort
- Butanedioic acid, amino-, (S)-
- D-aminosuccinic acid
- D-aspartic acid
- H-Asp-OH
- L-(+)-Aspartic acid
- L-2-Aminobutanedioic acid
- L-Aminosuccinic acid
- L-Asparagic acid
- L-Asparaginic acid
- L-Aspartic acid
- NSC 3973
- «alpha»-Aminosuccinic acid, (L)-
- 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).
- 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).
- ΔvapH° : Enthalpy of vaporization 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).
- Pc : Critical Pressure (kPa).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (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 | 908.90 | kJ/mol | NIST |
| BasG | 875.00 | kJ/mol | NIST |
| ΔcH°solid | [-1617.80; -1601.10] | kJ/mol |
|
| ΔcH°solid | -1601.10 ± 0.79 | kJ/mol | NIST |
| ΔcH°solid | -1604.40 | kJ/mol | NIST |
| ΔcH°solid | -1617.80 | kJ/mol | NIST |
| ΔcH°solid | -1615.60 | kJ/mol | NIST |
| ΔfH°gas | -775.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -973.32 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 28.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.31 | Aq. Solubility Prediction | |
| logPoct/wat | -1.127 | Crippen Calculated Property | |
| McVol | 92.080 | ml/mol | McGowan Calculated Property |
| Pc | 5414.53 | kPa | Joback Calculated Property |
| S°solid,1 bar | [170.12; 173.60] | J/mol×K |
|
| S°solid,1 bar | 170.12 | J/mol×K | NIST |
| S°solid,1 bar | 173.60 | J/mol×K | NIST |
| Tboil | 516.40 | K | Relay (1.0) Calculated Property |
| Tc | 769.83 | K | Relay (1.0) Calculated Property |
| Tfus | 546.48 | K | Aq. Solubility Prediction |
Cheméo can also estimate Critical Volume, 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 | [238.95; 271.15] | J/mol×K | [654.23; 876.11] |
|
| Cp,gas | 238.95 | J/mol×K | 654.23 | Joback Calculated Property |
| Cp,gas | 245.39 | J/mol×K | 691.21 | Joback Calculated Property |
| Cp,gas | 251.36 | J/mol×K | 728.19 | Joback Calculated Property |
| Cp,gas | 256.89 | J/mol×K | 765.17 | Joback Calculated Property |
| Cp,gas | 262.01 | J/mol×K | 802.15 | Joback Calculated Property |
| Cp,gas | 266.75 | J/mol×K | 839.13 | Joback Calculated Property |
| Cp,gas | 271.15 | J/mol×K | 876.11 | Joback Calculated Property |
| Cp,solid | [152.70; 155.18] | J/mol×K | [293.90; 298.15] |
|
| Cp,solid | 152.70 | J/mol×K | 293.90 | NIST |
| Cp,solid | 155.18 | J/mol×K | 298.15 | NIST |
Similar Compounds
Find more compounds similar to Aspartic acid.
Mixtures
- 2-Pyrrolidinone, 1-methyl- + Aspartic acid + Water
- Formamide, N,N-dimethyl- + Aspartic acid + Water
- Dimethyl Sulfoxide + Aspartic acid + Water
- Aspartic acid + 1,4-Dioxane + Water
- Aspartic acid + Methyl Alcohol
- Ethanol + Aspartic acid
- 1-Propanol + Aspartic acid
- 1-Butanol + Aspartic acid
- 2-Propanol + Aspartic acid
- Aspartic acid + Water
- Dimethyl Sulfoxide + Aspartic acid
- Formamide, N,N-dimethyl- + Aspartic acid
- 2-Pyrrolidinone, 1-methyl- + Aspartic acid
- 1,2-Ethanediol + Aspartic acid
- Aspartic acid + 1,4-Dioxane
- Acetone + Aspartic acid
- sodium chloride + Aspartic acid + Water
- potassium chloride + Aspartic acid + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Solubility modelling and thermodynamic aspect of d-aspartic acid in aqueous co-solvent mixtures of N-methyl-2-pyrrolidone, N,N-dimethylformamide, dimethyl sulfoxide and 1.4-dioxane
- Solubility of d-Aspartic Acid in Several Neat Solvents: Determination, Modeling, and Solvent Effect Analysis
- Solubility of d-Aspartic Acid and l-Aspartic Acid in Aqueous Salt Solutions from (293 to 343) K
- 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.