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