Details:
Density: 1.1±0.1 g/cm3
Boiling point: 323.9±0.0 °C at 760 mmHg
Melting point: 82-84 °C(lit.)
Molecular formula: C12H9N
Molecular Weight: 167.207
Flash point: 180.3±5.7 °C
Accurate mass: 167.073502
PSA: 23.79000
LogP: 2.68
Appearance: white to light yellow powder
Vapor pressure: 0.0±0.7 mmHg at 25°C
Refractive index: 1.634
Storage condition: sealed in a cool dry environment.
Stability: does not decompose if used and stored according to specifications.
The molecular structure
1. Molar refractive index: 53.55
2. Molar volume (m3/mol) : 149.7
3, equal sheet specific volume (90.2K) : 395.9
4, surface tension (dyne/cm) : 48.8
5. Polarizability (10-24cm3) : 21.23
Computational chemistry
1. Calculation reference value of hydrophobic parameters (XLOGP) : none
2. Number of hydrogen bond donors :0
3. Number of hydrogen bond receptors :1
4. Number of rotatable bonds :1
5. Number of tautomers: none
6. Polar surface area of topological molecules 23.8
7. Number of heavy atoms :13
8. Surface charge :0
9. Complexity :212
10. Number of isotopic atoms :0
11. Determine the number of protosteric centers :0
12. Uncertain number of atomic structuring centers :0
13. Determine the number of chemical bond structuring centers :0
14. Uncertain number of bond formation centers :0
15. Number of covalent bond units :1
1. Properties: white crystal powder
2. Density (g/mL,25/4℃) : 1.092
3. Relative vapor density (g/mL, air =1) : not available
4. Melting point (C) : 82-84
Boiling point (° C, atmospheric pressure) : 303
6. Boiling point (° C,5.2kPa) : No use
7. Refractive Index: Not available
8. Flash point (° C) : 303
9. Specific rotation (°) : Not available
10. Spontaneous ignition point or ignition temperature (° C) : no use
11. Vapor pressure (kPa,25 ° C) : not available
12. Saturated vapor pressure (kPa,60 ° C) : not available
13. Heat of combustion (kJ /mol) : no use
14. Critical temperature (° C) : No use
15. Critical Pressure (KPa) : Not available
16. The logarithm of the oil-water (octanol/water) partition coefficient: not available
17. Explosion upper limit (%,V/V) : not available
18. Lower explosion limit (%,V/V) : not available
19. Solubility: Not available