dipentyl 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:131-18-0

mdl number:mfcd00041934

einecs number:205-017-9

rtecs number:ti1930000

brn number:1987323

pubchem number:24868029

physical property data

1. density (g/ml, 20℃): 1.025

2. flash point (℃): >100

3. melting point (℃): <-55

4. boiling point (ºc): 342℃

5. relative density (20℃, 4℃): 1.0230²⁵

6. relative density (25℃, 4℃): 1.0132³⁵

7. refractive index at room temperature (n²⁰): 1.4885

8. gas phase standard combustion heat (enthalpy) (kj·mol^-1): -9981.4

9. gas phase standard claimed heat (enthalpy) (kj·mol ^-1): -817.6

10. liquid phase standard combustion heat (enthalpy) (kj·mol^-1): -9874.7924.3

11. the liquid phase standard claims heat (enthalpy) (kj·mol^-1): -842.6

toxicological data

1. reproductive toxicity: rat (male, before mating) oral tdlo: 6600mg/kg/3d

rat (male, before mating) oral tdlo: 2206mg/kg/1d

oral tdlo of rat (male, before mating): 2gm/kg/1d

oral tdlo of mouse (male, before mating): 316gm/kg/15w

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 86.86

2. molar volume (cm³/mol): 397.2

3. isotonic specific volume (90.2k): 735.2

4. surface tension (dyne/cm): 37.4

5. polarizability (10^-24cm³): 34.43

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: 12

5. number of tautomers: none

6. topological moleculessexual surface area 52.6

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 295

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. number of uncertain atomic stereocenters: 0

13. determine the 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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet