Structural formula
| Business number | 06H4 |
|---|---|
| Molecular formula | C5H11Cl |
| Molecular weight | 106.59 |
| label |
C2H5CH(CH3)CH2Cl |
Numbering system
CAS number:616-13-7
MDL number:MFCD00039366
EINECS number:210-466-9
RTECS number:None
BRN number:None
PubChem number:24870895
Physical property data
Physical property data: 1. Properties: liquid
2. Density (g/mL, 25/4℃): 0.8802
3. Refractive index (nD20): 1.4125
4. Flash point (℃): 0
5. Boiling point (ºC): 100.4℃
6. Specific rotation (º, C=1 , DIOXANE): +1.7°
7. Relative density (20℃, 4℃): 0.8852
8. Refractive index at room temperature (n25) : 1.4101
9. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -159.4
10. The liquid phase standard claims heat ( Enthalpy) (kJ·mol-1): -191.1
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 30.02
2. Molar volume (cm3/mol): 122.8
3. Isotonic specific volume (90.2K): 266.9
4. Surface tension (dyne/cm): 22.2
5. Polarizability (10-24cm3): 11.90
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.5
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 27.1
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
Properties and stability:
The product may not decompose under normal temperature and pressure.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis methodLaw
1. Introduction to the production method
Prepared by the action of l-active pentanol and phosphorus pentachloride.
Purpose
2. Uses
Organic synthesis raw materials and solvents.
