1,4-cyclohexanedione bis(ethylene acetal)

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

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Synthesis method

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Purpose

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