2-cyclohexylphenol
structural formula
| business number | 03aw |
|---|---|
| molecular formula | c12h16o |
| molecular weight | 176.25 |
| label |
alicyclic compounds |
numbering system
cas number:119-42-6
mdl number:mfcd00019335
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. character: undetermined
2. density (g/ml,25℃): undetermined
3. relative vapor density (g/ml,air =1): undetermined
4. melting point (ºc): 56
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc, kpa): undetermined
7. refractive index: undetermined
8. flashpoint (ºc): undetermined
9. specific rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg,ºc): undetermined
12. saturated vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil and water (octanol/log value of the partition coefficient for water: undetermined
17. explosion upper limit (%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility: undetermined
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1、 moore refractive index: 53.99
2、 moore volume (m3/mol):169.0
3、 isotonic specific volume (90.2k) ：428.6
4、 surface tension (dyne/cm):41.3
5、 polarizability (10-24cm3):21.40
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 4.1
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 1
5. number of tautomers: 3
6. topological molecule polar surface area 20.2
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 149
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
idi-font-family: arial”>isotonic specific volume (90.2k):428.6
4、 surface tension (dyne/cm):41.3
5、 polarizability (10-24cm3):21.40
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 4.1
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 1
5. number of tautomers: 3
6. topological molecule polar surface area 20.2
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 149
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