3-phenylpropyl chloride 3-phenylpropyl chloride
structural formula
| business number | 02q7 |
|---|---|
| molecular formula | c9h11cl |
| molecular weight | 154.64 |
| label |
3-phenylpropyl chloride, 1-chloro-3-phenylpropane, 1-chloro-3-phenylpropane, 3-phenyl-1-chloropropane, 3-phenylpropyl chloride, (3-chloropropyl)benzene, 1-chloro-3-phenylpropane, 3-chloro-1-phenylpropane, 3-phenyl-1-chloropropane, gamma-chloropropylbenzene, gamma-phenylpropyl chloride, 3-penylpropylchloride |
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