Dipropyl adipate Dipropyl adipate

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:106-19-4

MDL number:MFCD00048696

EINECS number:203-371-9

RTECS number:AV1740000

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/mL, 25℃): 0.979

3. Relative density (20℃, 4℃): 0.9790

4. Melting point (ºC): -15.7

5. Boiling point (ºC): 151¹¹

6. Boiling point (ºC , 10 mmHg): 144

7. Relative density (25℃, 4℃): 0.9243⁸⁶

8. Flash point (ºC): 140

9. Refractive index at room temperature (n²⁰): 1.4314

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 20ºC): Undetermined

12. Saturation vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol ): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (polymer) Log value of the partition coefficient (alcohol/water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V ): Undetermined

19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: LD50 in the peritoneal cavity of rats: 3786 μL/kg; 2. Reproductive toxicity: TDLo in the peritoneal cavity of rats 5-15 days after conception: 1262 mg/kg SEX/DURATION; TDLo:757mg/kgSEX/DURATION;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 61.19

2. Molar volume (cm³/mol): 233.5

3. Isotonic specific volume (90.2K ): 559.0

4. Surface tension (dyne/cm): 32.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 24.25

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 11

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 179

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. NoDetermine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of 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