1,2,3,4-benzenetetracarboxylic acid
structural formula
| business number | 020e |
|---|---|
| molecular formula | c10h6o8 |
| molecular weight | 254.15 |
| label |
1,2,4,5-tetracarboxylic acid benzene, pyromellitic acid, pyromellitic acid, pyromellitic acid, c6h2(co2h)4 |
numbering system
cas number:89-05-4
mdl number:mfcd00002471
einecs number:201-879-5
rtecs number:db9275000
brn number:none
pubchem number:24891744
physical property data
1. properties: white to slightly yellow powdery crystal.
2. density (g/ml, 25/4℃): 1.79
3. melting point (ºc): undetermined
4. melting point (ºc) ): 276℃ (anhydrous), 242℃ (with 2 molecules of crystal water),
5. crystalline phase standard combustion heat (enthalpy) (kj·mol-1): -3244.02
6. crystal phase standard claims heat (enthalpy) (kj·mol-1): -1548.58
7. crystal phase phase standard combustion heat (enthalpy) (kj·mol-1): -3221.76
8. crystal phase standard claim heat (enthalpy) (kj·mol-1 ): -1570.84
9. specific 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 ( log value of the partition coefficient (octanol/water): undetermined
17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/ v): undetermined
19. solubility: easily soluble in alcohol, slightly soluble in ether and water. can be sublimated.
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 53.97
2. molar volume (cm3/mol): 139.5
3. isotonic specific volume (90.2k ): 455.7
4. surface tension (dyne/cm): 113.7
5. polarizability (10-24cm3): 21.39
computational chemistrydata
1. hydrophobic parameter calculation reference value (xlogp): 0
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 8
4. number of rotatable chemical bonds: 4
5. number of tautomers:
6. topological molecular polar surface area (tpsa): 149
7. number of heavy atoms: 18
8. surface charge: 0
9. complexity: 327
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters number: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
this product should be stored in a sealed, cool and dry place.
synthesis method
obtained from the oxidation of 1,2,4,5-tetramethylbenzene (or 5-isopropyl-1,2,4-trimethylbenzene), or from the chloromethylation and oxidation of xylene.
purpose
organic synthesis. epoxy resin hardener. intermediate of polyimide ester.
