1-phenyl-2-nitropropene name

Chinese name 1-phenyl-2-nitropropene

1-Phenyl-2-nitropropene

Chinese alias TRANS - BETA - 2 - methyl - 2 - methyl - BETA | nitrobenzene ethylene | 2 - nitrobenzene propylene | 2 - nitro - 1 - phenyl acrylic

More English nicknames

Physical and chemical properties of 1-phenyl-2-nitropropene

Density 1.1± 0.1g /cm3

Boiling point 263.0±9.0 °C at 760 mmHg

Melting point 63-65oC

Molecular formula C9H9NO2

Molecular weight 163.173

Flash point 115.7±11.5 °C

Accurate mass 163.063324

PSA 45.82000

LogP is 2.70

Appearance character orange acicular shape

Vapor pressure 0.0±0.5 mmHg at 25°C

Refractive index 1.586

Storage condition

Store in an airtight container in a cool, dry place. Store at room temperature. The storage area must be away from oxidizing agents.

stability

Stable at normal temperature and pressure, away from oxides.

Molecular structure

1. Molar refractive index: 48.00

2. Molar volume (m3/mol) : 142.9

3. Isotropic volume (90.2K) : 364.9

4. Surface tension (dyne/cm) : 42.4

5. Dielectric constant:

6, dipole distance (10-24cm 3) :

7. Polarization: 19.03

Computational chemistry

1. Reference value of hydrophobic parameter calculation (XlogP) : 2.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 2

4. Number of rotatable bonds: 1

5. Topological molecular polar surface area (TPSA) : 43.1

6. Number of heavy atoms: 12

7. Surface charge: 0

8. Complexity: 187

9. Number of isotope atoms: 0

10. Determine the number of atomic constitutive centers: 0

11. Number of uncertain atomic constitutive centers: 0

12. Determine the number of chemical bond structure centers: 0

13. Number of uncertain bond structure centers: 0

14. Number of covalent bond units: 1

more

1. Character: not determined.

2. Density (g/mL,25/4℃) : not determined

3. Relative vapor density (g/mL, air =1) : not determined

4. Melting point (oC) : 64-67

5. Boiling point (oC, atmospheric pressure) : not determined

6. Boiling point (oC,5.2kPa) : Not determined

7. Refractive index: not determined

8. Flash point (oC) : Not determined

9. Specific rotation (o) : Not determined

10. Spontaneous ignition point or ignition temperature (oC) : not determined

11. Vapor pressure (kPa,25oC) : Not determined

12. Saturated vapor pressure (kPa,60oC) : Not determined

13. Heat of combustion (KJ/mol) : not determined

14. Critical temperature (oC) : Not determined

15. Critical pressure (KPa) : Not determined

16. Logarithmic value of oil-water (octanol/water) partition coefficient: not determined

17. Upper explosion limit (%,V/V) : Not determined

18. Lower explosive Limit (%,V/V) : Not determined

19. Solubility: not determined.