structural formula
business number | 04k6 |
---|---|
molecular formula | c4f9i |
molecular weight | 345.93 |
label |
aliphatic compounds |
numbering system
cas number:375-51-9
mdl number:mfcd00077556
einecs number:000-000-0
rtecs number:none
brn number:1777547
pubchem id:none
physical property data
一 , physical property data
traits :not available
density (g/ml,25/4℃): 2.095
relative vapor density (g/ml, air=1):not available
melting point (ºc): not available
boiling point (ºc, normal pressure): 64-67
boiling point (ºc, 5.2kpa): not available
refractive index: 1.3305
flash point (ºc): 64-67
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
two , toxicological 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: 34.88
2. molar volume (m3/mol):162.6
3. isotonic specific volume (90.2k):331.2
4. surface tension (dyne/cm):17.2
5. polarizability(10-24cm3): 13.83
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 4.1
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 9
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 214
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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