3,3,3-trifluoro-2-(trifluoromethyl)propionic acid
structural formula
| business number | 05t5 |
|---|---|
| molecular formula | c13h16f3n3o4 |
| molecular weight | 196.05 |
| label |
3,3,3-trifluoromethylpropionic acid |
numbering system
cas number:564-10-3
mdl number:mfcd00464165
einecs number:none
rtecs number:none
brn number:none
pubchem number:24850851
physical property data
1. physical property data
1. melting point:50-53°c.
２. boiling point:125c.
toxicological data
none
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 23.01
2. molar volume (m3/mol）：122.3
3. isotonic specific volume (90.2k):257.7
4. surface tension (dyne/cm):19.6
5. polarizability（10-24cm3):9.12
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 8
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 37.3
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 165
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
“>9.12
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 8
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 37.3
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 165
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
