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

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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