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ChemSpider 2D Image | Bromo(triphenyl)germane | C18H15BrGe

Bromo(triphenyl)germane

  • Molecular FormulaC18H15BrGe
  • Average mass383.856 Da
  • Monoisotopic mass383.956879 Da
  • ChemSpider ID121440

More details:






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

3005-32-1 [RN]
Brom(triphenyl)german [German] [ACD/IUPAC Name]
Bromo(triphenyl)germane [ACD/IUPAC Name]
Bromo(triphényl)germane [French] [ACD/IUPAC Name]
Germane, bromotriphenyl- [ACD/Index Name]
triphenyl-bromo-germane
Triphenylgermanium bromide
BROMOTRIPHENYLGERMANE|BROMOTRIPHENYLGERMANE
Germane,bromotriphenyl-
MFCD00013512
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

425613_ALDRICH [DBID]
NSC162847 [DBID]

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

    Density:
    Boiling Point: 405.8±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.2±3.0 kJ/mol
    Flash Point: 233.1±23.2 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 9.75
    ACD/LogD (pH 5.5): 8.10
    ACD/BCF (pH 5.5): 837892.31
    ACD/KOC (pH 5.5): 604487.50
    ACD/LogD (pH 7.4): 8.10
    ACD/BCF (pH 7.4): 837892.31
    ACD/KOC (pH 7.4): 604487.50
    Polar Surface Area: 0 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

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

                            
     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  6.81
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  404.65  (Adapted Stein & Brown method)
        Melting Pt (deg C):  137.00  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  4.78E-007  (Modified Grain method)
        Subcooled liquid VP: 6.41E-006 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):  0.005882
           log Kow used: 6.81 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  0.040431 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Neutral Organics
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   Incomplete
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  4.104E-005 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Can Not Estimate (can not calculate HenryLC)
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.9491
       Biowin2 (Non-Linear Model)     :   0.9505
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.4170  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.3086  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.3065
       Biowin6 (MITI Non-Linear Model):   0.0012
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.0592
     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):  0.000855 Pa (6.41E-006 mm Hg)
      Log Koa (): not available
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.00351 
           Octanol/air (Koa) model:  not available
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.113 
           Mackay model           :  0.219 
           Octanol/air (Koa) model:  not available
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =   5.8495 E-12 cm3/molecule-sec
          Half-Life =     1.829 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =    21.942 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.166 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  6.958E+005
          Log Koc:  5.843 
    
     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 = 4.544 (BCF = 3.501e+004)
           log Kow used: 6.81 (estimated)
    
     Volatilization from Water:
        Henry LC:  4.1E-005 atm-m3/mole  (calculated from VP/WS)
        Half-Life from Model River:      29.95  hours   (1.248 days)
        Half-Life from Model Lake :        491  hours   (20.46 days)
    
     Removal In Wastewater Treatment:
        Total removal:              93.74  percent
        Total biodegradation:        0.78  percent
        Total sludge adsorption:    92.96  percent
        Total to Air:                0.01  percent
          (using 10000 hr Bio P,A,S)
    
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       0.363           43.9         1000       
       Water     2.21            900          1000       
       Soil      31.3            1.8e+003     1000       
       Sediment  66.1            8.1e+003     0          
         Persistence Time: 3.1e+003 hr
    
    
    
    
                        

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