Found 8 results

Search term: MF = 'C_{18}H_{11}Br_{2}N'
ChemSpider 2D Image | 9-(3,5-Dibromophenyl)-9H-carbazole | C18H11Br2N

9-(3,5-Dibromophenyl)-9H-carbazole

  • Molecular FormulaC18H11Br2N
  • Average mass401.095 Da
  • Monoisotopic mass398.925812 Da
  • ChemSpider ID11535409

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

750573-26-3 [RN]
9-(3,5-Dibromophenyl)-9H-carbazole [ACD/IUPAC Name]
9-(3,5-Dibromophényl)-9H-carbazole [French] [ACD/IUPAC Name]
9-(3,5-Dibromphenyl)-9H-carbazol [German] [ACD/IUPAC Name]
9-(3,5-DIBROMOPHENYL)CARBAZOLE
95%
9H-CARBAZOLE, 9-(3,5-DIBROMOPHENYL)- [ACD/Index Name]
DS-19274
MFCD27939624

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.0 g/cm3
    Boiling Point: 503.7±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±0.0 kJ/mol
    Flash Point: 258.4±0.0 °C
    Index of Refraction: 1.700
    Molar Refractivity: 94.4±0.0 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 7.69
    ACD/LogD (pH 5.5): 7.69
    ACD/BCF (pH 5.5): 414178.00
    ACD/KOC (pH 5.5): 365052.25
    ACD/LogD (pH 7.4): 7.69
    ACD/BCF (pH 7.4): 414178.00
    ACD/KOC (pH 7.4): 365052.25
    Polar Surface Area: 5 Å2
    Polarizability: 37.4±0.0 10-24cm3
    Surface Tension: 50.6±0.0 dyne/cm
    Molar Volume: 244.2±0.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  447.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  187.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.15E-008  (Modified Grain method)
    Subcooled liquid VP: 5.82E-007 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0003403
       log Kow used: 6.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0088071 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.99E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.784E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.84  (KowWin est)
  Log Kaw used:  -4.913  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.753
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1307
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7860  (months      )
   Biowin4 (Primary Survey Model) :   2.6740  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1420
   Biowin6 (MITI Non-Linear Model):   0.0038
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2885
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.76E-005 Pa (5.82E-007 mm Hg)
  Log Koa (Koawin est  ): 11.753
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0387 
       Octanol/air (Koa) model:  0.139 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.583 
       Mackay model           :  0.756 
       Octanol/air (Koa) model:  0.917 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.0000 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.642 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.669 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.949E+005
      Log Koc:  5.290 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 4.563 (BCF = 3.657e+004)
       log Kow used: 6.84 (estimated)

 Volatilization from Water:
    Henry LC:  2.99E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3924  hours   (163.5 days)
    Half-Life from Model Lake : 4.297E+004  hours   (1790 days)

 Removal In Wastewater Treatment:
    Total removal:              93.76  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.98  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0128          1.28         1000       
   Water     1.65            1.44e+003    1000       
   Soil      31.5            2.88e+003    1000       
   Sediment  66.9            1.3e+004     0          
     Persistence Time: 4.56e+003 hr

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