1,1,1-trifluoro-2-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:374-01-6

mdl number:mfcd00014403

einecs number:206-773-2

rtecs number:none

brn number:1734738

pubchem number:24878458

physical property data

1. physical property data

properties: not available

density (g/ml, 25/4℃ ): 1.2799¹⁵

relative vapor density (g/ml, air=1): not available

melting point (ºc): -52

boiling point (ºc, normal pressure): 77

refractive index at normal temperature (n²⁰): 1.3160

refractive index: 1.316

flash point (ºc): not available

specific rotation (º): not available

autoignition point or ignition temperature (ºc): not available

vapor pressure (kpa, 25ºc): not available

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

heat of combustion (kj/mol ): not available

critical temperature (ºc): not available

critical pressure (kpa): not available

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

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

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

solubility: not available

toxicological data

2. toxicological data:

acute toxicity: not available.

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: 17.89

2. molar volume (cm³/mol): 92.3

3. isotonic specific volume (90.2k ): 189.2

4. surface tension (dyne/cm): 17.6

5. polarizability (10^-24cm³):7.09

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: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 57.7

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet