ChemSpider 2D Image | CARBOXYETHYLTRICHLOROGERMANE | C3H5Cl3GeO2

CARBOXYETHYLTRICHLOROGERMANE

  • Molecular FormulaC3H5Cl3GeO2
  • Average mass252.070 Da
  • Monoisotopic mass251.856689 Da
  • ChemSpider ID76845

More details:






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

15961-23-6 [RN]
240-096-3 [EINECS]
3-(Trichlorgermyl)propansäure [German] [ACD/IUPAC Name]
3-(Trichlorogermyl)propanoic acid [ACD/IUPAC Name]
3-(trichlorogermyl)propionic acid
Acide 3-(trichlorogermyl)propanoïque [French] [ACD/IUPAC Name]
CARBOXYETHYLTRICHLOROGERMANE
Propanoic acid, 3-(trichlorogermyl)- [ACD/Index Name]
120324-06-3 [RN]
C.I.48042
More...

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

    Density:
    Boiling Point: 265.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 55.4±6.0 kJ/mol
    Flash Point: 114.5±27.9 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.15
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 38.94
    ACD/KOC (pH 5.5): 153.26
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.44
    Polar Surface Area: 37 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) =  2.34
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  294.68  (Adapted Stein & Brown method)
        Melting Pt (deg C):  85.81  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  0.000675  (Modified Grain method)
        Subcooled liquid VP: 0.00259 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):  571.9
           log Kow used: 2.34 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  78674 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Neutral Organics-acid
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   Incomplete
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  3.914E-007 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)         :   0.7002
       Biowin2 (Non-Linear Model)     :   0.5182
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   3.0068  (weeks       )
       Biowin4 (Primary Survey Model) :   3.8697  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.2423
       Biowin6 (MITI Non-Linear Model):   0.0597
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  1.0748
     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):  0.345 Pa (0.00259 mm Hg)
      Log Koa (): not available
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  8.69E-006 
           Octanol/air (Koa) model:  not available
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.000314 
           Mackay model           :  0.000694 
           Octanol/air (Koa) model:  not available
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  12.8698 E-12 cm3/molecule-sec
          Half-Life =     0.831 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     9.973 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.000504 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  9.012
          Log Koc:  0.955 
    
     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 = 0.500 (BCF = 3.162)
           log Kow used: 2.34 (estimated)
    
     Volatilization from Water:
        Henry LC:  3.91E-007 atm-m3/mole  (calculated from VP/WS)
        Half-Life from Model River:       2376  hours   (99.01 days)
        Half-Life from Model Lake : 2.606E+004  hours   (1086 days)
    
     Removal In Wastewater Treatment:
        Total removal:               2.74  percent
        Total biodegradation:        0.10  percent
        Total sludge adsorption:     2.61  percent
        Total to Air:                0.02  percent
          (using 10000 hr Bio P,A,S)
    
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       1.36            19.9         1000       
       Water     26.7            360          1000       
       Soil      71.8            720          1000       
       Sediment  0.146           3.24e+003    0          
         Persistence Time: 480 hr
    
    
    
    
                        

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