- InChI
- InChI=1S/C5H10N2O3/c6-2-1-4(8)7-3-5(9)10/h1-3,6H2,(H,7,8)(H,9,10)
- InChI Key
- QDHYJVJAGQLHBA-UHFFFAOYSA-N
- Formula
- C5H10N2O3
- SMILES
- NCCC(=O)NCC(=O)O
- Molecular Weight1
- 146.14
- CAS
- 2672-88-0
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.7930 | Relay (1.0) Calculated Property | |
| ΔfG° | -247.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.464 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Pc | 5029.93 | kPa | Joback Calculated Property |
| Tboil | 551.48 | K | Relay (1.0) Calculated Property |
| Tc | 788.74 | K | Relay (1.0) Calculated Property |
| Tfus | 486.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.14; 322.89] | J/mol×K | [636.42; 829.14] | 
|
| Cp,gas | 283.14 | J/mol×K | 636.42 | Joback Calculated Property |
| Cp,gas | 290.81 | J/mol×K | 668.54 | Joback Calculated Property |
| Cp,gas | 298.04 | J/mol×K | 700.66 | Joback Calculated Property |
| Cp,gas | 304.85 | J/mol×K | 732.78 | Joback Calculated Property |
| Cp,gas | 311.26 | J/mol×K | 764.90 | Joback Calculated Property |
| Cp,gas | 317.27 | J/mol×K | 797.02 | Joback Calculated Property |
| Cp,gas | 322.89 | J/mol×K | 829.14 | Joback Calculated Property |
| Cp,solid | 168.00 | J/mol×K | 298.00 | NIST |
| ΔfusH | 56.60 | kJ/mol | 507.95 | NIST |
Similar Compounds
Find more compounds similar to «beta»-Alanylglycine.
Sources
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