Dipropyl adipate Dipropyl adipate
Structural formula
| Business number | 02ST |
|---|---|
| Molecular formula | C12H22O4 |
| Molecular weight | 230.30 |
| label |
Adipic Acid Dipropyl Ester |
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
