- InChI
- InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5+/m0/s1
- InChI Key
- OLIFSFOFKGKIRH-WVZVXSGGSA-N
- Formula
- C6H12N2O4
- SMILES
- CC(O)C(NC(=O)CN)C(=O)O
- Molecular Weight1
- 176.17
- CAS
- 7093-70-1
- Other Names
-
- N-glycyl-L-threonine
- 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 | 0.8372 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.105 | Crippen Calculated Property | |
| McVol | 130.240 | ml/mol | McGowan Calculated Property |
| Pc | 5116.65 | kPa | Joback Calculated Property |
| Tboil | 555.72 | K | Relay (1.0) Calculated Property |
| Tc | 808.61 | K | Relay (1.0) Calculated Property |
| Tfus | 483.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.55; 409.69] | J/mol×K | [750.60; 941.11] | 
|
| Cp,gas | 372.55 | J/mol×K | 750.60 | Joback Calculated Property |
| Cp,gas | 379.85 | J/mol×K | 782.35 | Joback Calculated Property |
| Cp,gas | 386.69 | J/mol×K | 814.10 | Joback Calculated Property |
| Cp,gas | 393.08 | J/mol×K | 845.86 | Joback Calculated Property |
| Cp,gas | 399.03 | J/mol×K | 877.61 | Joback Calculated Property |
| Cp,gas | 404.56 | J/mol×K | 909.36 | Joback Calculated Property |
| Cp,gas | 409.69 | J/mol×K | 941.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Threonine, N-glycyl-.
Sources
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