Structural formula
Business number | 03MW |
---|---|
Molecular formula | C18H26O4 |
Molecular weight | 306.40 |
label |
Dipentyl-1,2-phthalate, Dipentyl phthalate, Dipentyl phthalate, Di-n-amyl phthalate, Di-n-amyl phthalate, Dipentyl phthalate, aromatic compounds |
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