2,2,3,3,3-pentafluoro-1-propanol

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:422-05-9

mdl number:mfcd00004673

einecs number:207-012-7

rtecs number:ub8800000

brn number:1743133

pubchem number:24855590

physical property data

1. physical property data

properties: colorless liquid

density (g/ml, 25/4 ℃): 1.505

relative density (20℃, 4℃): 1.505

melting point (ºc): -15

boiling point (ºc, normal pressure): 80

refractive index at normal temperature (n²⁵): 1.2882

refractive index: 1.288

flash point (ºc): not available

specific rotation (º): not available

autoignition point or ignition temperature (ºc): not available

vapor pressure (kpa, 25ºc): not available

p>

saturated vapor pressure (kpa, 60ºc): not available

heat of combustion (kj/mol): not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil-water (octanol/ log value of the partition coefficient (water): not available

upper explosion limit (%, v/v): not available

lower explosion limit (% ,v/v): not available

solubility: soluble in water

toxicological data

2. toxicological data:

acute toxicity: ld50: 1000 mg/kg (orally in mice) lc50: 10000 mg/m3 (mouse inhalation).

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

1. molar refractive index: 18.23

2. molar volume (cm³/mol): 102.8

3. isotonic specific volume (90.2k ): 205.9

4.  surface tension (dyne/cm): 16.0

5, polarizability (10^-24cm³): 7.22

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 94.9

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