- InChI
- InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3
- InChI Key
- ANSUDRATXSJBLY-UHFFFAOYSA-N
- Formula
- C4H9NO3
- SMILES
- COC(=O)C(N)CO
- Molecular Weight1
- 119.12
- CAS
- 2104-89-4
- Other Names
-
- Methyl serinate
- Propanoic 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° | -323.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.59 | kJ/mol | Joback Calculated Property |
| log10WS | 0.83 | Crippen Calculated Property | |
| logPoct/wat | -1.521 | Crippen Calculated Property | |
| McVol | 90.510 | ml/mol | McGowan Calculated Property |
| Pc | 5109.34 | kPa | Joback Calculated Property |
| Inp | [1032.00; 1038.00] |
|
|
| Inp | 1034.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Tboil | 531.48 | K | Joback Calculated Property |
| Tc | 719.71 | K | Joback Calculated Property |
| Tfus | 336.08 | K | Joback Calculated Property |
| Vc | 0.326 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.91; 250.33] | J/mol×K | [531.48; 719.71] |
|
| Cp,gas | 210.91 | J/mol×K | 531.48 | Joback Calculated Property |
| Cp,gas | 218.24 | J/mol×K | 562.85 | Joback Calculated Property |
| Cp,gas | 225.26 | J/mol×K | 594.22 | Joback Calculated Property |
| Cp,gas | 231.99 | J/mol×K | 625.60 | Joback Calculated Property |
| Cp,gas | 238.41 | J/mol×K | 656.97 | Joback Calculated Property |
| Cp,gas | 244.52 | J/mol×K | 688.34 | Joback Calculated Property |
| Cp,gas | 250.33 | J/mol×K | 719.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Serine, methyl ester.
Sources
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