14-Heptacosanone
Structural formula
| Business number | 05LH |
|---|---|
| Molecular formula | C27H54O |
| Molecular weight | 394.72 |
| label |
di(tridecanyl)ketone, myristone, Di-n-tridecyl ketone |
Numbering system
CAS number:542-50-7
MDL number:MFCD00026598
EINECS number:208-815-5
RTECS number:None
BRN number:1796794
PubChem ID:None
Physical property data
1. Character: white crystal
2. Density (g/ cm3, 25/4℃): 0.837
3. Relative steam Density (g/cm3, air=1): Undetermined
4. Melting point (ºC): 76-78
5. Boiling point (ºC , normal pressure): Undetermined
6. Boiling point (ºC, 66.70kPa): Undetermined
7. Refractive index: Undetermined
8. Flash Point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 55.1ºC): Undetermined
13. Heat of combustion (KJ/ mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water ( Log value of the partition coefficient (octanol/water): Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/ V): Undetermined
19. Solubility: Soluble in hot benzene, slightly soluble in ethanol, insoluble in water
Toxicological data
None yet
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 127.16
2. Molar volume (cm3/mol): 471.3
3. Isotonic specific volume (90.2K ): 1111.4
4. Surface tension (dyne/cm): 30.9
5. Polarizability (10-24cm3): 50.41
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 12.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 24
5. Number of tautomers: 2
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 28
8. Surface charge: 0
9. Complexity: 269
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Use and store according to specifications. It will not decompose and avoid contact with oxides.
2. Found in tobacco leaves.
Storage method
This product should be kept sealed.
Synthesis method
None yet
Purpose
Gas chromatography analysis standards.