- InChI
- InChI=1S/C7H13N3O4/c1-4(7(13)14)10-6(12)3-9-5(11)2-8/h4H,2-3,8H2,1H3,(H,9,11)(H,10,12)(H,13,14)
- InChI Key
- CCQOOWAONKGYKQ-UHFFFAOYSA-N
- Formula
- C7H13N3O4
- SMILES
- CC(NC(=O)CNC(=O)CN)C(=O)O
- Molecular Weight1
- 203.20
- CAS
- 19729-30-7
- ω : Acentric Factor.
- BasG : Gas basicity (kJ/mol).
- 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 | 0.8608 | Relay (1.0) Calculated Property | |
| BasG | 914.80 | kJ/mol | NIST |
| ΔfG° | -272.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.349 | Crippen Calculated Property | |
| McVol | 150.010 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 566.04 | K | Relay (1.0) Calculated Property |
| Tc | 843.89 | K | Relay (1.0) Calculated Property |
| Tfus | 484.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.08; 474.47] | J/mol×K | [785.78; 986.65] | 
|
| Cp,gas | 434.08 | J/mol×K | 785.78 | Joback Calculated Property |
| Cp,gas | 442.22 | J/mol×K | 819.26 | Joback Calculated Property |
| Cp,gas | 449.77 | J/mol×K | 852.74 | Joback Calculated Property |
| Cp,gas | 456.75 | J/mol×K | 886.21 | Joback Calculated Property |
| Cp,gas | 463.18 | J/mol×K | 919.69 | Joback Calculated Property |
| Cp,gas | 469.08 | J/mol×K | 953.17 | Joback Calculated Property |
| Cp,gas | 474.47 | J/mol×K | 986.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to gly-gly-ala.
Sources
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