- InChI
- InChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7)
- InChI Key
- RFNODQARGNZURK-UHFFFAOYSA-N
- Formula
- C5H9NO3
- SMILES
- COC(=O)CNC(C)=O
- Molecular Weight1
- 131.13
- CAS
- 1117-77-7
- Other Names
-
- Methyl N-acetylglycinate
- Methyl N-acetylglycine
- N-Acetylglycine methyl ester
- CH3C(O)NHCH2C(O)OCH3
- Acetylglycine, methyl ester
- PAff : Proton affinity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 892.00 | kJ/mol | NIST |
| BasG | 861.00 | kJ/mol | NIST |
| ΔfG° | -282.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.06 | kJ/mol | Joback Calculated Property |
| log10WS | 0.26 | Crippen Calculated Property | |
| logPoct/wat | -0.705 | Crippen Calculated Property | |
| McVol | 100.300 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Inp | [1090.00; 1137.60] |
|
|
| Inp | 1090.00 | NIST | |
| Inp | 1137.60 | NIST | |
| Tboil | 494.13 | K | Joback Calculated Property |
| Tc | 687.46 | K | Joback Calculated Property |
| Tfus | 320.86 | K | Joback Calculated Property |
| Vc | 0.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.78; 262.27] | J/mol×K | [494.13; 687.46] |
|
| Cp,gas | 214.78 | J/mol×K | 494.13 | Joback Calculated Property |
| Cp,gas | 223.59 | J/mol×K | 526.35 | Joback Calculated Property |
| Cp,gas | 232.04 | J/mol×K | 558.57 | Joback Calculated Property |
| Cp,gas | 240.14 | J/mol×K | 590.80 | Joback Calculated Property |
| Cp,gas | 247.88 | J/mol×K | 623.02 | Joback Calculated Property |
| Cp,gas | 255.26 | J/mol×K | 655.24 | Joback Calculated Property |
| Cp,gas | 262.27 | J/mol×K | 687.46 | Joback Calculated Property |
Similar Compounds
![Glycine, N-[N-(trifluoroacetyl)glycyl]-, methyl ester.](data:image/png;base64,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)
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