Trichloro(methyl)germane CH3Cl3Ge structure – Flashcards

Flashcard maker : Elizabeth Hill

Molecular Formula CH3Cl3Ge
Average mass 194.033 Da
Boiling Point 98.4±23.0 °C at 760 mmHg
Flash Point 9.4±20.0 °C
Molar Refractivity
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Boiling Point:

      111 °C Alfa Aesar
      111 °C Alfa Aesar 41449
    • Experimental Flash Point:

      10 °C Alfa Aesar
      10 °F (-12.2222 °C)
      Alfa Aesar 41449
    • Experimental Gravity:

      1.706 g/mL Alfa Aesar 41449
    • Experimental Refraction Index:

      1.4685 Alfa Aesar 41449
  • Miscellaneous
    • Safety:

      11/14/1934 Alfa Aesar 41449
      11/14/1934 12:00:00 AM Alfa Aesar 41449
      11-14-34 Alfa Aesar 41449
      16-26-36/37/39-45 Alfa Aesar 41449
      3 Alfa Aesar 41449
      Danger Alfa Aesar 41449
      DANGER: CORROSIVE, burns skin, eyes, and lungs Alfa Aesar 41449
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar 41449
      H225-H314-EUH014 Alfa Aesar 41449
      P210-P260-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar 41449

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Boiling Point: 98.4±23.0 °C at 760 mmHg
Vapour Pressure: 46.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.4±3.0 kJ/mol
Flash Point: 9.4±20.0 °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: 6.34
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3115.81
ACD/KOC (pH 5.5): 11022.82
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3115.81
ACD/KOC (pH 7.4): 11022.82
Polar Surface Area: 0 Å2
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) = 2.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 143.35 (Adapted Stein & Brown method)
 Melting Pt (deg C): -22.53 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 6.88 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 284.3
 log Kow used: 2.60 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 22603 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]: 6.177E-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) : 0.6552
 Biowin2 (Non-Linear Model) : 0.5631
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.7704 (weeks )
 Biowin4 (Primary Survey Model) : 3.5678 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.1354
 Biowin6 (MITI Non-Linear Model): 0.0450
 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): 845 Pa (6.34 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.55E-009 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.28E-007 
 Mackay model : 2.84E-007 
 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): 2.06E-007 (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 = 1.300 (BCF = 19.93)
 log Kow used: 2.60 (estimated)

 Volatilization from Water:
 Henry LC: 0.00618 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 1.553 hours
 Half-Life from Model Lake : 133.7 hours (5.572 days)

 Removal In Wastewater Treatment:
 Total removal: 71.28 percent
 Total biodegradation: 0.05 percent
 Total sludge adsorption: 1.80 percent
 Total to Air: 69.43 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 33.4 189 1000 
 Water 37.6 360 1000 
 Soil 28.7 720 1000 
 Sediment 0.309 3.24e+003 0 
 Persistence Time: 168 hr


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