3-phenylpropyl chloride 3-phenylpropyl chloride

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:104-52-9

mdl number:mfcd00001001

einecs number:203-210-2

rtecs number:none

brn number:507635

pubchem number:24892899

physical property data

1. properties: liquid.

2. density (g/ml, 25℃): 1.046

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): -27

5. boiling point (ºc, normal pressure): 221

6. boiling point (ºc, kpa): undetermined

7. refractive index: 1.521~1.523

8. flash point (ºc): 106

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 20ºc): not determined

12. saturated vapor pressure (kpa, 22.7ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15 . critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) distribution coefficient: undetermined

17. explosion upper limit (%, v/v ): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 45.28

2. molar volume (cm³/mol): 150.1

3. isotonic specific volume (90.2k ): 362.0

4. surface tension (dyne/cm): 33.8

5. dielectric constant:

6. dipole moment (10^-24cm³):

7��� polarizability: 17.95

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: 0

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 74.8

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain 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