- InChI
- InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1
- InChI Key
- SCCPDJAQCXWPTF-GSVOUGTGSA-N
- Formula
- C6H10N2O5
- SMILES
- NCC(=O)NC(CC(=O)O)C(=O)O
- Molecular Weight1
- 190.15
- CAS
- 4685-12-5
- Other Names
-
- N-glycyl-L-aspartic acid
- 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 | 0.9125 | Relay (1.0) Calculated Property | |
| ΔfG° | -507.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -925.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.011 | Crippen Calculated Property | |
| McVol | 131.810 | ml/mol | McGowan Calculated Property |
| Pc | 5544.32 | kPa | Joback Calculated Property |
| Tboil | 547.55 | K | Relay (1.0) Calculated Property |
| Tc | 845.34 | K | Relay (1.0) Calculated Property |
| Tfus | 497.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.23; 406.78] | J/mol×K | [804.91; 1000.89] | 
|
| Cp,gas | 376.23 | J/mol×K | 804.91 | Joback Calculated Property |
| Cp,gas | 382.43 | J/mol×K | 837.57 | Joback Calculated Property |
| Cp,gas | 388.16 | J/mol×K | 870.24 | Joback Calculated Property |
| Cp,gas | 393.45 | J/mol×K | 902.90 | Joback Calculated Property |
| Cp,gas | 398.31 | J/mol×K | 935.56 | Joback Calculated Property |
| Cp,gas | 402.74 | J/mol×K | 968.23 | Joback Calculated Property |
| Cp,gas | 406.78 | J/mol×K | 1000.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Aspartic acid, N-glycyl-.
Sources
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