Octafluorotoluene
Structural formula
| Business number | 04TL |
|---|---|
| Molecular formula | C7F8 |
| Molecular weight | 236.06 |
| label |
Octafluorotoluene, Octafluorotoluene, 98+%, Perfluorotoluene, 1,2,3,4,5-PENTAFLUORO-6-TRIFLUOROMETHYL-BENZENE, OCTAFLUOROTOLUENE, PENTAFLUORO-BENZOTRIFLUORIDE, PERFLUOROTOLUENE, (Trifluoromethyl)pentafluorobenzene, benzene,pentafluoro(trifluoromethyl)-, octafluoro-toluen, Octafluortoluol |
Numbering system
CAS number:434-64-0
MDL number:MFCD00000375
EINECS number:207-104-7
RTECS number:XT3530000
BRN number:2057072
PubChem number:24887180
Physical property data
1. Physical property data
Liquid phase standard claims heat (enthalpy) (kJ·mol-1): -1310.22
Density (g/mL, 25/4℃): 1.666
Relative density (20℃, 4℃): 1.6659 Melting point (ºC): -65.5
Boiling point (ºC, normal pressure): 103
Liquid phase standard entropy (J·mol-1·K-1): 357.82
Refractive index: 1.368
Refractive index at room temperature (n20): 1.3664
Gas phase standard claimed heat (enthalpy) (kJ·mol-1): -1269.4
Gas phase standard entropy (J·mol-1 ·K-1): 463.61
Gas phase standard free energy of formation (kJ·mol-1): -1153.8
Gas phase standard hot melt (J·mol-1·K-1): 191.1
Critical temperature (K): 261.32
Critical pressure (MPa): 2.693
Liquid phase standard formation free energy (kJ·mol -1): -1163.24
Eccentricity factor: 0.475
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: 38.07
2. Molar volume (cm3/mol): 118.1
3. Isotonic specific volume (90.2K ): 312.3
4. Surface tension (dyne/cm): 48.9
5. Polarizability (10-24cm3): 15.09
�Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 8
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 210
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
