2-Propylcyclohexanone 2-Propylcyclohexanone
Structural formula
| Business number | 027Y |
|---|---|
| Molecular formula | C9H16O |
| Molecular weight | 140.22 |
| label |
None |
Numbering system
CAS number:94-65-5
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: Undetermined
2. Density (g/mL, 20℃): 0.91
3. Relative vapor density (g/mL, air=1) : Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 198
6. Boiling point (ºC, 10mmHg): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation (º ): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 85ºC): 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 41.76
2. Molar volume (cm3/mol): 157.0
3. Isotonic specific volume (90.2K ): 364.0
4. Surface tension (dyne/cm): 28.8
5. Polarizability (10-24cm3): 16.55
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 118
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
