- 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).
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -526.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.242 | Crippen Calculated Property | |
| McVol | 138.270 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | 1226.00 | NIST | |
| Tboil | 508.52 | K | Relay (1.0) Calculated Property |
| Tfus | 289.17 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.14; 383.49] | J/mol×K | [541.46; 732.12] | 
|
| Cp,gas | 322.14 | J/mol×K | 541.46 | Joback Calculated Property |
| Cp,gas | 333.80 | J/mol×K | 573.24 | Joback Calculated Property |
| Cp,gas | 344.87 | J/mol×K | 605.01 | Joback Calculated Property |
| Cp,gas | 355.37 | J/mol×K | 636.79 | Joback Calculated Property |
| Cp,gas | 365.30 | J/mol×K | 668.57 | Joback Calculated Property |
| Cp,gas | 374.67 | J/mol×K | 700.34 | Joback Calculated Property |
| Cp,gas | 383.49 | J/mol×K | 732.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methacrylglycine, methyl ester.
Sources
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