Structural formula of octafluorotoluene

Structural formula of octafluorotoluene

Structural formula

Business number 04TL
Molecular formula C7F8
Molecular weight 236.06


Octafluorotoluene, 98+%,










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


None yet


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