- InChI
- InChI=1S/C8H13NO3/c1-6(2)4-7(10)9-5-8(11)12-3/h4H,5H2,1-3H3,(H,9,10)
- InChI Key
- HQJXTLHTVWAWPO-UHFFFAOYSA-N
- Formula
- C8H13NO3
- SMILES
- COC(=O)CNC(=O)C=C(C)C
- Molecular Weight1
- 171.19
- CAS
- 56009-34-8
- Other Names
-
- Methyl N-(«beta»-methylcrotonyl)glycine
- N-(«beta»-Methylcrotonyl)glycine methyl ester
- «beta»-Methylcrotonylglycine, methyl ester
- (3-Methyl-but-2-enoylamino)-acetic acid methyl ester
- 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° | -185.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.78 | 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 | 3062.55 | kPa | Joback Calculated Property |
| Inp | [1377.00; 1386.00] |
|
|
| Inp | 1377.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Tboil | 566.81 | K | Joback Calculated Property |
| Tc | 764.40 | K | Joback Calculated Property |
| Tfus | 335.63 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.75; 386.24] | J/mol×K | [566.81; 764.40] |
|
| Cp,gas | 325.75 | J/mol×K | 566.81 | Joback Calculated Property |
| Cp,gas | 337.24 | J/mol×K | 599.74 | Joback Calculated Property |
| Cp,gas | 348.16 | J/mol×K | 632.67 | Joback Calculated Property |
| Cp,gas | 358.49 | J/mol×K | 665.60 | Joback Calculated Property |
| Cp,gas | 368.28 | J/mol×K | 698.54 | Joback Calculated Property |
| Cp,gas | 377.52 | J/mol×K | 731.47 | Joback Calculated Property |
| Cp,gas | 386.24 | J/mol×K | 764.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, N-(3-methyl-1-oxo-2-butenyl)-, methyl ester.
Sources
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