isopropyl 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:605-45-8

mdl number:mfcd00053717

einecs number:210-086-3

rtecs number:ti1350000

brn number:1972723

pubchem number:24887528

physical property data

physical property data:
1. density (g/ml ,25/4℃):1.063

2. refractive index (nd20):1.490

3. freeze point (℃):>18

4. boiling point (ºc): 302

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:68.24

2, moore volume (m³/mol):231.9

3, isotonic specific volume (90.2k ):570.8

4, surface tension (dyne/ cm):36.6

5、 polarizability (10^-24cm³): 27.05

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: 18

8. surface charge: 0

9. complexity: 266

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15 .number of covalent bond units: 1

properties and stability

properties and stability:

no decomposition products may occur under normal temperatures and pressures.

storage method

1, storage

package is complete, pack with care; the warehouse is ventilated, away from open flames, high temperatures, and stored separately from oxidants.

synthesis method

none yet

purpose

none yet