- InChI
- InChI=1S/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3
- InChI Key
- BYHXBBOSJKPUJL-UHFFFAOYSA-N
- Formula
- C6H11NO4
- SMILES
- COC(=O)CC(N)C(=O)OC
- Molecular Weight1
- 161.16
- CAS
- 40149-67-5
- Other Names
-
- dimethyl DL-aspartate
- 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 | 0.5665 | Relay (1.0) Calculated Property | |
| ΔfG° | -404.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.950 | Crippen Calculated Property | |
| McVol | 120.260 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Tboil | 483.17 | K | Relay (1.0) Calculated Property |
| Tc | 662.90 | K | Relay (1.0) Calculated Property |
| Tfus | 361.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.38; 340.82] | J/mol×K | [561.35; 763.20] | 
|
| Cp,gas | 287.38 | J/mol×K | 561.35 | Joback Calculated Property |
| Cp,gas | 297.41 | J/mol×K | 594.99 | Joback Calculated Property |
| Cp,gas | 307.01 | J/mol×K | 628.63 | Joback Calculated Property |
| Cp,gas | 316.17 | J/mol×K | 662.27 | Joback Calculated Property |
| Cp,gas | 324.86 | J/mol×K | 695.91 | Joback Calculated Property |
| Cp,gas | 333.08 | J/mol×K | 729.56 | Joback Calculated Property |
| Cp,gas | 340.82 | J/mol×K | 763.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aspartic acid, dimethyl ester.
Sources
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