2-Naphthalenol, benzoate

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:93-44-7

MDL number:MFCD00014320

EINECS number:202-247-1

RTECS number:None

BRN number:2052424

PubChem ID:None

Physical property data

1. Properties: White crystalline powder. The color becomes darker after being left for a long time.

2. The standard heat of combustion (enthalpy) of the crystal phase (kJ·mol^-1): -8219.9

3. The standard claim heat of the crystal phase ( Enthalpy) (kJ·mol^-1): -184.8

4. Melting point (ºC): 107

5. Boiling point (ºC, normal pressure) : Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC) : Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11 . Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water) Log value of distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in hot ethanol, glycerol and chloroform, slightly soluble in ether, almost insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 75.74

2. Molar volume (cm³/mol): 206.9

3. Isotonic specific volume (90.2K ): 548.5

4. Surface tension (dyne/cm): 49.3

5. Polarizability (10^-24cm³): 30.02

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): None

2. HydrogenNumber of bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Tautomerism Number of bodies: None

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 306

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. No Determine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

None

Purpose

Used in organic synthesis. Paraffin hardener.