14-Heptacosanone

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.

Resource:allhdi.com