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Chloro(chloromethyl)methylsilane

ChemSpider ID: 11182707
Molecular Formula: C₂H₆Cl₂Si
Monoisotopic mass: 127.961578 Da
Systematic name

Chloro(chloromethyl)methylsilane
SMILES and InChIs

SMILES:

C[SiH](Cl)CCl Copied

Std. InChI:

InChI=1S/C2H6Cl2Si/c1-5(4)2-3/h5H,2H2,1H3 Copied

Std. InChIKey:

ZCJSXNPBZLWTCC-UHFFFAOYSA-N Copied

ChemSpider Searches

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	2.991	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	2.99	ACD/LogD (pH 7.4):	2.99
ACD/BCF (pH 5.5):	110.38	ACD/BCF (pH 7.4):	110.38
ACD/KOC (pH 5.5):	1009.02	ACD/KOC (pH 7.4):	1009.02
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	1	Polar Surface Area:	0 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	4.031 °C	Enthalpy of Vaporization:	32.455 kJ/mol
Boiling Point:	99.212 °C at 760 mmHg	Vapour Pressure:	44.4440002441406 mmHg at 25°C

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.

                    
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  101.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -90.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  35.7  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1255
       log Kow used: 2.19 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  34.86 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.63E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.831E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.19  (KowWin est)
  Log Kaw used:  -0.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.366
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5747
   Biowin2 (Non-Linear Model)     :   0.3370
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7408  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5609  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3791
   Biowin6 (MITI Non-Linear Model):   0.1993
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7678
 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):  4.52E+003 Pa (33.9 mm Hg)
  Log Koa (Koawin est  ): 2.366
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.64E-010 
       Octanol/air (Koa) model:  5.7E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.4E-008 
       Mackay model           :  5.31E-008 
       Octanol/air (Koa) model:  4.56E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5400 E-12 cm3/molecule-sec
      Half-Life =    19.807 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.85E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  67.7
      Log Koc:  1.831 

 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 = 0.985 (BCF = 9.659)
       log Kow used: 2.19 (estimated)

 Volatilization from Water:
    Henry LC:  0.0163 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        1.2  hours
    Half-Life from Model Lake :      108.3  hours   (4.515 days)

 Removal In Wastewater Treatment:
    Total removal:              86.46  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.85  percent
    Total to Air:               85.58  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       45.6            475          1000       
   Water     48.3            900          1000       
   Soil      5.92            1.8e+003     1000       
   Sediment  0.239           8.1e+003     0          
     Persistence Time: 164 hr