Butyl fluoroacetate

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:371-49-3

MDL number:None

EINECS number:206-739-7

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

Properties: Not available

Density (g/mL, 25/4℃ ): 1.02

Relative density (20℃, 4℃): 1.0200

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 135.5

Refractive index at normal temperature (n²⁰): 1.3970

Refractive index: Not available

Flash point (ºC): Not available

Specific rotation (º): Not available

Autoignition point or ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available

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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 distribution coefficient of water): Not available

Upper explosion 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: 31.78

2. Molar volume (cm³/mol): 136.5

3. Isotonic specific volume (90.2K ): 305.1

4. Surface tension (dyne/cm): 24.9

5. Polarizability (10^-24cm³): 12.60

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 83.1

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

Storage method

None yet

Synthesis method

None

Purpose

None