- InChI
- InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3
- InChI Key
- KQSSATDQUYCRGS-UHFFFAOYSA-N
- Formula
- C3H7NO2
- SMILES
- COC(=O)CN
- Molecular Weight1
- 89.09
- CAS
- 616-34-2
- Other Names
-
- NH2CH2COOCH3
- methyl glycinate
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -193.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.07 | kJ/mol | Joback Calculated Property |
| IE | [9.10; 9.80] | eV |
|
| IE | 9.10 | eV | NIST |
| IE | 9.80 | eV | NIST |
| log10WS | 0.63 | Crippen Calculated Property | |
| logPoct/wat | -0.882 | Crippen Calculated Property | |
| McVol | 70.550 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Inp | 749.00 | NIST | |
| Tboil | 416.86 | K | Joback Calculated Property |
| Tc | 613.38 | K | Joback Calculated Property |
| Tfus | 278.99 | K | Joback Calculated Property |
| Vc | 0.257 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.41; 172.18] | J/mol×K | [416.86; 613.38] |
|
| Cp,gas | 136.41 | J/mol×K | 416.86 | Joback Calculated Property |
| Cp,gas | 142.88 | J/mol×K | 449.61 | Joback Calculated Property |
| Cp,gas | 149.16 | J/mol×K | 482.37 | Joback Calculated Property |
| Cp,gas | 155.23 | J/mol×K | 515.12 | Joback Calculated Property |
| Cp,gas | 161.10 | J/mol×K | 547.87 | Joback Calculated Property |
| Cp,gas | 166.75 | J/mol×K | 580.63 | Joback Calculated Property |
| Cp,gas | 172.18 | J/mol×K | 613.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, methyl ester.
Sources
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