1,4-cyclohexanedione bis(ethylene acetal)
structural formula
| business number | 0404 |
|---|---|
| molecular formula | c10h16o4 |
| molecular weight | 200.23 |
| label |
none yet |
numbering system
cas number:183-97-1
mdl number:mfcd00010851
einecs number:none
rtecs number:none
brn number:none
pubchem number:24857997
physical property data
1. melting point (ºc):79-80 °c(lit.)
2. boiling point (ºc,normal pressure):75-85 °c0.5 mm hg(lit.)
3. flashpoint (ºc):75-85°c/0.5mm
toxicological data
none yet
ecological data
none yet
molecular structure data
1. moore refraction rate: 49.20
2. molar volume （cm3/mol）：163.6
3. isotonic ratio （90.2k )：415.9
4. surface tension（dyne/cm）: 41.7
5. dielectric constants: none available
6. dipole distance（10 -24cm3)：not available
7, polarization rate: 19.50
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.3
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 36.9
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 180
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: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
