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
