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
