ChemSpider 2D Image | (5-Chloro-2-methylpentyl)(trimethyl)silane | C9H21ClSi

(5-Chloro-2-methylpentyl)(trimethyl)silane

  • Molecular FormulaC9H21ClSi
  • Average mass192.801 Da
  • Monoisotopic mass192.110107 Da
  • ChemSpider ID13113202

More details:

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

(5-Chlor-2-methylpentyl)(trimethyl)silan [German] [ACD/IUPAC Name]
(5-Chloro-2-methylpentyl)(trimethyl)silane [ACD/IUPAC Name]
(5-Chloro-2-méthylpentyl)(triméthyl)silane [French] [ACD/IUPAC Name]
Silane, (5-chloro-2-methylpentyl)trimethyl- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 211.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.0±3.0 kJ/mol
Flash Point: 81.2±7.9 °C
Index of Refraction: 1.424
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2907.01
ACD/KOC (pH 5.5): 10488.90
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2907.01
ACD/KOC (pH 7.4): 10488.90
Polar Surface Area: 0 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 21.8±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.35

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  186.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -31.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.697  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.273
       log Kow used: 5.35 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.079516 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.21E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.389E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.35  (KowWin est)
  Log Kaw used:  1.118  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.232
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5444
   Biowin2 (Non-Linear Model)     :   0.1705
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5999  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4690  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2883
   Biowin6 (MITI Non-Linear Model):   0.1209
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4412
 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):  84.5 Pa (0.634 mm Hg)
  Log Koa (Koawin est  ): 4.232
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.55E-008 
       Octanol/air (Koa) model:  4.19E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.28E-006 
       Mackay model           :  2.84E-006 
       Octanol/air (Koa) model:  3.35E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.0780 E-12 cm3/molecule-sec
      Half-Life =     1.511 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.134 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.06E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1811
      Log Koc:  3.258 

 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 = 3.423 (BCF = 2649)
       log Kow used: 5.35 (estimated)

 Volatilization from Water:
    Henry LC:  0.321 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.419  hours
    Half-Life from Model Lake :      131.9  hours   (5.497 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.39  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    55.22  percent
    Total to Air:               43.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.01            36.3         1000       
   Water     9.4             900          1000       
   Soil      42.8            1.8e+003     1000       
   Sediment  44.8            8.1e+003     0          
     Persistence Time: 797 hr

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