D-(+)-Malic acid diethyl ester CAS7554-28-1

Details:

Density 1.1 ± 0.1 g/cm3
Boiling point 281.6 ± 20.0 ° C at 760 mmHg
Molecular formula C8H14O5
Molecular weight 190.194
Flash point 85.0 ± 0.0 ° C
Accurate quality 190.084122
PSA 72.83000
LogP 0.23
Appearance: Liquid; Colorless to Most Colorless clear liquid
Steam pressure 0.0 ± 1.3 mmHg at 25 ° C
Refractive index 1.446
Storage conditions
Sealed in a cool and dry environment.
Stability
If used and stored according to specifications, it will not decompose.
Molecular structure
1. Molar refractive index: 44.15
2. Molar volume (m3/mol): 165.4
3. Isometric volume (90.2K): 414.0
4. Surface tension (dyne/cm): 39.2
5. Polarization rate (10-24cm3): 17.50
Computational chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): 0.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond receptors: 5
4. Number of rotatable Chemical bond: 7
5. Number of Tautomer: 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 structure centers: 1
12. Number of uncertain atomic structure centers: 0
13. Determine the number of Chemical bond stereo centers: 0
14. Number of uncertain Chemical bond stereostructural centers: 0
15. Number of Covalent bond units: 1

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