- InChI
- InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
- InChI Key
- CKLJMWTZIZZHCS-UHFFFAOYSA-N
- Formula
- C4H7NO4
- SMILES
- NC(CC(=O)O)C(=O)O
- Molecular Weight1
- 133.10
- CAS
- 617-45-8
- Other Names
-
- Aspartic acid, dl-
- DL-Asparagic acid
- Aspartic acid
- acid D,L-aspart
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7985 | Relay (... Calculated Property | |
| ΔfG° | -484.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.60 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.42 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -0.15 | Relay (... Calculated Property | |
| logPoct/wat | -1.127 | Crippen Calculated Property | |
| McVol | 92.080 | ml/mol | McGowan Calculated Property |
| Pc | 6642.18 | kPa | Joback Calculated Property |
| Tboil | 516.40 | K | Relay (... Calculated Property |
| Tc | 767.56 | K | Relay (... Calculated Property |
| Tfus | 533.74 | K | Relay (... Calculated Property |
| Vc | 0.317 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.47; 261.69] | J/mol×K | [655.11; 842.78] | 
|
| Cp,gas | 233.47 | J/mol×K | 655.11 | Joback Calculated Property |
| Cp,gas | 238.94 | J/mol×K | 686.39 | Joback Calculated Property |
| Cp,gas | 244.10 | J/mol×K | 717.67 | Joback Calculated Property |
| Cp,gas | 248.94 | J/mol×K | 748.94 | Joback Calculated Property |
| Cp,gas | 253.48 | J/mol×K | 780.22 | Joback Calculated Property |
| Cp,gas | 257.73 | J/mol×K | 811.50 | Joback Calculated Property |
| Cp,gas | 261.69 | J/mol×K | 842.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dl-Aspartic acid.
Sources
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