- InChI
- InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
- InChI Key
- CXISPYVYMQWFLE-UHFFFAOYSA-N
- Formula
- C5H10N2O3
- SMILES
- CC(N)C(=O)NCC(=O)O
- Molecular Weight1
- 146.14
- CAS
- 1188-01-8
- Other Names
-
- Glycine, N-DL-alanyl-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 | 0.7444 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2618.90 ± 0.84 | kJ/mol | NIST |
| ΔfG° | -250.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -777.39 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 22.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.466 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| S°solid,1 bar | 213.40 | J/mol×K | NIST |
| Tboil | 520.71 | K | Relay (1.0) Calculated Property |
| Tc | 750.41 | K | Relay (1.0) Calculated Property |
| Tfus | 507.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.69; 324.14] | J/mol×K | [635.98; 832.14] | 
|
| Cp,gas | 283.69 | J/mol×K | 635.98 | Joback Calculated Property |
| Cp,gas | 291.53 | J/mol×K | 668.67 | Joback Calculated Property |
| Cp,gas | 298.92 | J/mol×K | 701.37 | Joback Calculated Property |
| Cp,gas | 305.86 | J/mol×K | 734.06 | Joback Calculated Property |
| Cp,gas | 312.36 | J/mol×K | 766.75 | Joback Calculated Property |
| Cp,gas | 318.45 | J/mol×K | 799.44 | Joback Calculated Property |
| Cp,gas | 324.14 | J/mol×K | 832.14 | Joback Calculated Property |
| Cp,solid | 181.79 | J/mol×K | 296.40 | NIST |
Similar Compounds
Find more compounds similar to N-dl-Alanylglycine.
Sources
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