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
extended-reading:https://www.newtopchem.com/archives/44876extended-reading:https://www.newtopchem.com/archives/43972extended-reading:https://www.cyclohexylamine.net/acetic-acid-potassium-salt-potassium-acetate/extended-reading:https://www.bdmaee.net/catalyst-a400/extended-reading:https://www.bdmaee.net/dabco-bl-16-catalyst-cas8001-28-0–germany/extended-reading:https://www.newtopchem.com/archives/1743extended-reading:https://www.newtopchem.com/archives/1748extended-reading:https://www.newtopchem.com/archives/39838extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/dibutyl-tin-maleate-cas78-04-6-tributyl-tin-oxide.pdfextended-reading:https://www.bdmaee.net/nt-cat-9726/