- InChI
- InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
- InChI Key
- AYFVYJQAPQTCCC-HRFVKAFMSA-N
- Formula
- C4H9NO3
- SMILES
- CC(O)C(N)C(=O)O
- Molecular Weight1
- 119.12
- CAS
- 24830-94-2
- Other Names
-
- Allothreonine, D-
- D-threonine
- DL-allothreonine
- allothreonine
- l-Allo-threonine
- 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).
- 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° | -358.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.47 | kJ/mol | Joback Calculated Property |
| log10WS | 0.48 | Crippen Calculated Property | |
| logPoct/wat | -1.221 | Crippen Calculated Property | |
| McVol | 90.510 | ml/mol | McGowan Calculated Property |
| Pc | 6084.49 | kPa | Joback Calculated Property |
| Tboil | 600.80 | K | Joback Calculated Property |
| Tc | 784.19 | K | Joback Calculated Property |
| Tfus | 359.67 | K | Joback Calculated Property |
| Vc | 0.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.46; 262.25] | J/mol×K | [600.80; 784.19] | 
|
| Cp,gas | 228.46 | J/mol×K | 600.80 | Joback Calculated Property |
| Cp,gas | 234.89 | J/mol×K | 631.37 | Joback Calculated Property |
| Cp,gas | 240.98 | J/mol×K | 661.93 | Joback Calculated Property |
| Cp,gas | 246.76 | J/mol×K | 692.50 | Joback Calculated Property |
| Cp,gas | 252.22 | J/mol×K | 723.06 | Joback Calculated Property |
| Cp,gas | 257.38 | J/mol×K | 753.63 | Joback Calculated Property |
| Cp,gas | 262.25 | J/mol×K | 784.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Allothreonine.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Effects of hydroxyl groups on binary diffusion coefficients of -amino acids in dilute aqueous solutions
- Joback Method
- McGowan Method
- NIST Webbook
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