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