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.
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