ALEURITIC ACID CAS533-87-9

Details:

Density 1.1 ± 0.1 g/cm3
Boiling point 516.7 ± 45.0 ° C at 760 mmHg
Melting point 100-101 ° C (lit.)
Molecular formula C16H32O5
Molecular weight 304.422
Flash point 280.4 ± 25.2 ° C
Accurate quality 304.224976
PSA 97.99000
LogP 1.27
Steam pressure 0.0 ± 3.0 mmHg at 25 ° C
Refractive index 1.498
Storage conditions
Seal and dry for storage.
Stability
1. Use and store according to specifications without decomposition and avoid contact with oxides
2. Avoid inhaling dust from this product and avoid contact with eyes and skin.
Molecular structure
1. Molar refractive index: 82.26
2. Molar volume (cm3/mol): 280.5
3. Isometric volume (90.2K): 735.4
4. Surface tension (dyne/cm): 47.2
5. Polarization rate (10-24cm3): 32.61
Computational chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): 2.5
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond receptors: 5
4. Number of rotatable Chemical bond: 15
5. Number of Tautomer:
6. Topological molecule Polar surface area (TPSA): 98
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 245
10. Number of Isotope Atoms: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 2
13. Determine the number of Chemical bond stereo centers: 0
14. Number of uncertain Chemical bond stereocenters: 0
15. Number of Covalent bond units: 1

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