L-diethyl malate
Structural formula
| Business number | 079J |
|---|---|
| Molecular formula | C8H14O5 |
| Molecular weight | 190.19 |
| label |
L-(-)-diethyl malate, L-(-)-Apple Acid Diethyl Ester, L-(-)-Malic Acid Diethyl Ester, Diethyl L-(-)-Malate, chiral compounds |
Numbering system
CAS number:691-84-9
MDL number:MFCD00210119
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Character:.
2. Density (g/mL,25/4℃):
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC,Normal pressure):
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined
17. Explosion on�（%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 44.15
2. Molar volume（m3/ mol）：165.4
3. isotonic ratio（90.2K）：414.0
4. Surface Tension（dyne/cm）：39.2
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 17.50
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: none
6. Topological molecule polar surface area 72.8
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 177
10. Number of isotope atoms���: 0
11. Determine the number of atomic stereocenters: 1
12. Uncertain number of atomic stereocenters: 0
13. Determine chemical bonds Number of stereocenters: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
