Methyl undecafluorohexanoate
Structural formula
| Business number | 04SD |
|---|---|
| Molecular formula | C7H3O2F11 |
| Molecular weight | 328.08 |
| label |
Methyl undecafluorohexanoate, METHYL UNDECAFLUOROHEXANOATE, METHYL PERFLUOROHEXANOATE, Methyl perfluorohexanoate 98%, Methylperfluorohexanoate98%, Perfluorohexanoic Acid Methyl Ester, Undecafluorohexanoic Acid Methyl Ester |
Numbering system
CAS number:424-18-0
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.579
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): Not available
Boiling point (ºC, normal pressure): 121
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.3039
Flash Point (ºC): Not available
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Dissolve Properties: Not available
Toxicological data
2. Poison Physics data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:37.88
2、 Molar volume（m3/mol)：207.7
3, Isotonic specific volume (90.2K):415.4
4、 Surface tension（dyne/cm)：15.9
5、 Polarizability(10-24cm3）：15.01
Calculate chemical numbers�
1. Reference value for hydrophobic parameter calculation (XlogP): 3.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 13
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: 20
8. Surface charge: 0
9. Complexity: 383
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
Synthesis method
None
Purpose
None