ChemSpider 2D Image | methyl-triiodo-germane | CH3GeI3

methyl-triiodo-germane

  • Molecular FormulaCH3GeI3
  • Average mass468.388 Da
  • Monoisotopic mass469.658020 Da
  • ChemSpider ID63844

More details:






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

1111-91-7 [RN]
Germane, triiodomethyl- [ACD/Index Name]
methyl-triiodo-germane
Triiod(methyl)german [German] [ACD/IUPAC Name]
Triiodo(methyl)germane [ACD/IUPAC Name]
Triiodo(méthyl)germane [French] [ACD/IUPAC Name]
methyltriiodogermane
Triiodomethylgermane
Trijod-methylgerman [Czech]
Trijod-methylgerman

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

BRN 4123536 [DBID]

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

Density:
Boiling Point: 237.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 104.0±18.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16400.99
ACD/KOC (pH 5.5): 36190.23
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16400.99
ACD/KOC (pH 7.4): 36190.23
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) =  4.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  316.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  70.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000588  (Modified Grain method)
    Subcooled liquid VP: 0.00157 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):  0.3523
       log Kow used: 4.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  232.55 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]:  1.029E-003 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)         :   0.5246
   Biowin2 (Non-Linear Model)     :   0.0255
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1642  (months      )
   Biowin4 (Primary Survey Model) :   3.1720  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.6808
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  0.209 Pa (0.00157 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.43E-005 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000517 
       Mackay model           :  0.00115 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.3600 E-12 cm3/molecule-sec
      Half-Life =     7.865 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    94.376 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000831 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 2.465 (BCF = 291.6)
       log Kow used: 4.11 (estimated)

 Volatilization from Water:
    Henry LC:  0.00103 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:       3.44  hours
    Half-Life from Model Lake :        219  hours   (9.125 days)

 Removal In Wastewater Treatment:
    Total removal:              51.54  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    31.21  percent
    Total to Air:               20.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.96            189          1000       
   Water     6.97            1.44e+003    1000       
   Soil      87.3            2.88e+003    1000       
   Sediment  2.73            1.3e+004     0          
     Persistence Time: 1.39e+003 hr




                    

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