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ChemSpider 2D Image | PHENYLTRIMETHYLGERMANE | C9H14Ge

PHENYLTRIMETHYLGERMANE

  • Molecular FormulaC9H14Ge
  • Average mass194.848 Da
  • Monoisotopic mass196.030731 Da
  • ChemSpider ID120824

More details:

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

1626-00-2 [RN]
Germane, trimethylphenyl- [ACD/Index Name]
PHENYLTRIMETHYLGERMANE
Trimethyl(phenyl)german [German] [ACD/IUPAC Name]
Trimethyl(phenyl)germane [ACD/IUPAC Name]
Triméthyl(phényl)germane [French] [ACD/IUPAC Name]
[1626-00-2] [RN]
MFCD00014842
Phenyltrimethyl germane
Trimethylgermylbenzene
More...

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

    Density:
    Boiling Point: 188.2±23.0 °C at 760 mmHg
    Vapour Pressure: 0.8±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.7±3.0 kJ/mol
    Flash Point: 57.6±16.7 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.07
    ACD/LogD (pH 5.5): 4.32
    ACD/BCF (pH 5.5): 1122.56
    ACD/KOC (pH 5.5): 5308.11
    ACD/LogD (pH 7.4): 4.32
    ACD/BCF (pH 7.4): 1122.56
    ACD/KOC (pH 7.4): 5308.11
    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) =  4.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  191.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -24.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.541  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.354
       log Kow used: 4.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  226.87 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]:  2.183E-002 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)         :   0.7829
   Biowin2 (Non-Linear Model)     :   0.8851
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7906  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5715  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1749
   Biowin6 (MITI Non-Linear Model):   0.0802
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3384
 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):  65.7 Pa (0.493 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.56E-008 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.65E-006 
       Mackay model           :  3.65E-006 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.0298 E-12 cm3/molecule-sec
      Half-Life =     1.774 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.286 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.65E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1181
      Log Koc:  3.072 

 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 = 2.784 (BCF = 608.4)
       log Kow used: 4.52 (estimated)

 Volatilization from Water:
    Henry LC:  0.0218 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.462  hours
    Half-Life from Model Lake :        133  hours   (5.541 days)

 Removal In Wastewater Treatment:
    Total removal:              92.73  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    37.84  percent
    Total to Air:               54.71  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.6             42.6         1000       
   Water     16.3            360          1000       
   Soil      71.6            720          1000       
   Sediment  6.51            3.24e+003    0          
     Persistence Time: 377 hr

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