cis 2,2-dimethyl-3-hexene
structural formula
| business number | 079f |
|---|---|
| molecular formula | c8h16 |
| molecular weight | 112.21 |
| label |
(3z)-2,2-dimethyl-3-hexene, (z)-2,2-dimethyl-3-hexene, aliphatic compounds |
numbering system
cas number:690-92-6
mdl number:mfcd00180771
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. character:.
2. density (g/ml,25/4℃):
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc):
5. boiling point (ºc,normal pressure):
6. boiling point (ºc,5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific optical rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa,25ºc): undetermined
12. saturated vapor pressure (kpa,60ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil and water (octanol/logarial value of the partition coefficient of water: undetermined
17. explosion limit (%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility:.
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 39.31
2. molar volume（m3/ mol）：154.2
3. isotonic ratio（90.2k）：332.7
4. surface tension（dyne/cm）：21.6
5. dielectric constant: 2.48
6. dipole moment（10 -24cm3)：
7. polarizability: 15.51
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.4
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 0
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 8
8. surface charge: 0
9. complexity: 72.5
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: 1
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
