Mellitic acid
Structural formula
| Business number | 05BY |
|---|---|
| Molecular formula | C12H6O12 |
| Molecular weight | 342.17 |
| label |
Benzenehexacarboxylic acid, C6(CO2H)6 |
Numbering system
CAS number:517-60-2
MDL number:MFCD00002469
EINECS number:208-243-6
RTECS number:None
BRN number:2228443
PubChem number:24896757
Physical property data
1. The standard heat of combustion (enthalpy) of the crystal phase (kJ·mol-1): -3280.88
2. The standard claim heat (enthalpy) of the crystal phase (kJ ·mol-1): -2298.77
3. Relative vapor density (g/cm3, air=1): Undetermined
4. Melting point (ºC): 290
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 8kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
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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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 67.88
2. Molar volume (cm3/mol): 164.6
3. Isotonic specific volume (90.2K ): 580.0
4. Surface tension (dyne/cm): 154.1
5. Polarizability (10-24cm3): 26.89
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.9
2. Number of hydrogen bond donors: 6
3. Number of hydrogen bond acceptors: 12
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 224
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 470
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Confirm��Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
Exists in a variety of coal and wood products. It can be obtained by heating charcoal and nitric acid. It can also be prepared from 4-halogenated phthalic acid.
Purpose
Used to make pyromellitic acid, etc.
