diphenyl phthalate diphenyl phthalate

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:84-62-8

mdl number:mfcd00003038

einecs number:201-546-4

rtecs number:ti1935000

brn number:2473390

pubchem number:24862624

physical property data

1. physical property data

1. character: white crystal, odorless , irritating

2. density (g/ml,25/4℃):1.572

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc):70~73℃

5. boiling point (ºc,normal pressure):225℃（1.86kpa).

6. boiling point (ºc,5.2kpa): unsure

7. refractive index:1.572

8. flash point (ºc):224℃

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

rat caliber ld50: 8mg/kg

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 89.54

2. molar volume (m³/mol）：256.2

3. isotonic specific volume (90.2k):682.0

4. surface tension (dyne/cm):50.1

5. polarizability（10^-24cm³):35.49

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 52.6

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 381

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

-family: 宋体; mso-bidi-font-family: arial; mso-ascii-font-family: ‘times new roman’; mso-hansi-font-family: ‘times new roman'”>（10^-24cm³): 35.49

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 52.6

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 381

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