Butyl fluoroacetate
Structural formula
| Business number | 04HY |
|---|---|
| Molecular formula | C6H11FO2 |
| Molecular weight | 134.15 |
| label |
aliphatic compounds |
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
