- InChI
- InChI=1S/C8H13NO3/c1-6(2)4-7(10)9-5-8(11)12-3/h1,4-5H2,2-3H3,(H,9,10)
- InChI Key
- TZSHCLFMEXZCRJ-UHFFFAOYSA-N
- Formula
- C8H13NO3
- SMILES
- C=C(C)CC(=O)NCC(=O)OC
- Molecular Weight1
- 171.19
- 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 |
|---|---|---|---|
| ΔfG° | -177.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.15 | kJ/mol | Joback Calculated Property |
| log10WS | -0.85 | Crippen Calculated Property | |
| logPoct/wat | 0.242 | Crippen Calculated Property | |
| McVol | 138.270 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Inp | [1226.00; 1226.00] |
|
|
| Inp | 1226.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Tboil | 559.33 | K | Joback Calculated Property |
| Tc | 752.54 | K | Joback Calculated Property |
| Tfus | 338.95 | K | Joback Calculated Property |
| Vc | 0.530 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.66; 385.94] | J/mol×K | [559.33; 752.54] |
|
| Cp,gas | 325.66 | J/mol×K | 559.33 | Joback Calculated Property |
| Cp,gas | 337.05 | J/mol×K | 591.53 | Joback Calculated Property |
| Cp,gas | 347.89 | J/mol×K | 623.73 | Joback Calculated Property |
| Cp,gas | 358.19 | J/mol×K | 655.93 | Joback Calculated Property |
| Cp,gas | 367.96 | J/mol×K | 688.14 | Joback Calculated Property |
| Cp,gas | 377.21 | J/mol×K | 720.34 | Joback Calculated Property |
| Cp,gas | 385.94 | J/mol×K | 752.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methacrylglycine, methyl ester.
Sources
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