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

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
3005-32-1 [RN]
BROMOTRIPHENYLGERMANE|BROMOTRIPHENYLGERMANE
Germane,bromotriphenyl-
Triphenylbromogermane
TRIPHENYLBROMOGERMANE, tech-95
More...

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

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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