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
