- InChI
- InChI=1S/C10H17NO5/c1-4-15-9(13)6-8(11-7(3)12)10(14)16-5-2/h8H,4-6H2,1-3H3,(H,11,12)
- InChI Key
- XQGDGRNHLJLQOV-UHFFFAOYSA-N
- Formula
- C10H17NO5
- SMILES
- CCOC(=O)CC(N=C(C)O)C(=O)OCC
- Molecular Weight1
- 231.25
- CAS
- 1069-39-2
- Other Names
-
- (l) N-acetylaspartic acid, diethyl ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.7894 | Relay (... Calculated Property | |
| ΔfG° | -501.03 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1006.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 91.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -0.97 | Relay (... Calculated Property | |
| logPoct/wat | 0.848 | Crippen Calculated Property | |
| McVol | 178.190 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Tboil | 557.07 | K | Relay (... Calculated Property |
| Tc | 735.57 | K | Relay (... Calculated Property |
| Tfus | 342.18 | K | Relay (... Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 76.00 | kJ/mol | 463.00 | NIST |
Similar Compounds
Find more compounds similar to Aspartic acid, N-acetyl-, diethyl ester, L-.
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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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