ChemSpider 2D Image | Chlorotrimethylgermane | C3H9ClGe

Chlorotrimethylgermane

  • Molecular FormulaC3H9ClGe
  • Average mass153.197 Da
  • Monoisotopic mass153.960449 Da
  • ChemSpider ID66366

More details:






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

1529-47-1 [RN]
216-214-4 [EINECS]
Chlor(trimethyl)german [German] [ACD/IUPAC Name]
Chloro(trimethyl)germane [ACD/IUPAC Name]
Chloro(triméthyl)germane [French] [ACD/IUPAC Name]
Chlorotrimethylgermane
Germane, chlorotrimethyl- [ACD/Index Name]
MFCD00000462 [MDL number]
Trimethylchlorogermane
Trimethylgermanium chloride
More...

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

3535109 [DBID]
211729_ALDRICH [DBID]

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

Density:
Boiling Point: 102.0±9.0 °C at 760 mmHg
Vapour Pressure: 39.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.7±3.0 kJ/mol
Flash Point: 8.6±12.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.51
ACD/KOC (pH 5.5): 2231.39
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 334.51
ACD/KOC (pH 7.4): 2231.39
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) =  3.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  120.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -47.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  18.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  175.1
       log Kow used: 3.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15254 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]:  2.106E-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)         :   0.6746
   Biowin2 (Non-Linear Model)     :   0.6971
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8607  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6268  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2577
   Biowin6 (MITI Non-Linear Model):   0.1373
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5974
 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):  2.29E+003 Pa (17.2 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.31E-009 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.72E-008 
       Mackay model           :  1.05E-007 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.0800 E-12 cm3/molecule-sec
      Half-Life =     2.622 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    31.459 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.6E-008 (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 = 1.665 (BCF = 46.21)
       log Kow used: 3.07 (estimated)

 Volatilization from Water:
    Henry LC:  0.0211 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.297  hours
    Half-Life from Model Lake :      117.9  hours   (4.914 days)

 Removal In Wastewater Treatment:
    Total removal:              89.35  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     3.27  percent
    Total to Air:               86.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       26.2            62.9         1000       
   Water     43.8            360          1000       
   Soil      29.1            720          1000       
   Sediment  0.836           3.24e+003    0          
     Persistence Time: 141 hr




                    

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