- InChI
- InChI=1S/C5H11NO3/c1-3(7)4(6)5(8)9-2/h3-4,7H,6H2,1-2H3
- InChI Key
- TVHCXXXXQNWQLP-UHFFFAOYSA-N
- Formula
- C5H11NO3
- SMILES
- COC(=O)C(N)C(C)O
- Molecular Weight1
- 133.15
- Other Names
-
- Butanoic acid, 2-amino-3-hydroxy, 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° | -317.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.42 | kJ/mol | Joback Calculated Property |
| log10WS | 0.30 | Crippen Calculated Property | |
| logPoct/wat | -1.132 | Crippen Calculated Property | |
| McVol | 104.600 | ml/mol | McGowan Calculated Property |
| Pc | 4522.49 | kPa | Joback Calculated Property |
| Inp | [1040.00; 1043.00] |
|
|
| Inp | 1043.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Tboil | 553.92 | K | Joback Calculated Property |
| Tc | 743.70 | K | Joback Calculated Property |
| Tfus | 332.35 | K | Joback Calculated Property |
| Vc | 0.376 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.76; 299.86] | J/mol×K | [553.92; 743.70] |
|
| Cp,gas | 253.76 | J/mol×K | 553.92 | Joback Calculated Property |
| Cp,gas | 262.39 | J/mol×K | 585.55 | Joback Calculated Property |
| Cp,gas | 270.65 | J/mol×K | 617.18 | Joback Calculated Property |
| Cp,gas | 278.52 | J/mol×K | 648.81 | Joback Calculated Property |
| Cp,gas | 286.01 | J/mol×K | 680.44 | Joback Calculated Property |
| Cp,gas | 293.12 | J/mol×K | 712.07 | Joback Calculated Property |
| Cp,gas | 299.86 | J/mol×K | 743.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dl-Threonine, methyl ester.
Sources
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