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ChemSpider 2D Image | 1,1,1,2,2-Pentamethyl-2-(1-naphthyl)disilane | C15H22Si2

1,1,1,2,2-Pentamethyl-2-(1-naphthyl)disilane

  • Molecular FormulaC15H22Si2
  • Average mass258.506 Da
  • Monoisotopic mass258.126007 Da
  • ChemSpider ID125499

More details:

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

1,1,1,2,2-Pentamethyl-2-(1-naphthyl)disilan [German] [ACD/IUPAC Name]
1,1,1,2,2-Pentamethyl-2-(1-naphthyl)disilane [ACD/IUPAC Name]
1,1,1,2,2-Pentaméthyl-2-(1-naphtyl)disilane [French] [ACD/IUPAC Name]
Naphthalene, 1-(1,1,2,2,2-pentamethyldisilanyl)- [ACD/Index Name]
38446-40-1 [RN]
Disilane, pentamethyl-1-naphthalenyl-
Disilane,pentamethyl-1-naphthalenyl-

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

Density: 0.9±0.1 g/cm3
Boiling Point: 306.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 124.4±12.3 °C
Index of Refraction: 1.525
Molar Refractivity: 85.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21508.86
ACD/KOC (pH 5.5): 43941.34
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21508.86
ACD/KOC (pH 7.4): 43941.34
Polar Surface Area: 0 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 26.4±5.0 dyne/cm
Molar Volume: 277.3±5.0 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) =  6.89

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  306.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000633  (Modified Grain method)
    Subcooled liquid VP: 0.00135 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):  0.02792
       log Kow used: 6.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0050054 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]:  7.712E-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)         :   0.6245
   Biowin2 (Non-Linear Model)     :   0.3402
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6279  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4748  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0026
   Biowin6 (MITI Non-Linear Model):   0.0180
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2298
 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):  0.18 Pa (0.00135 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.67E-005 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000602 
       Mackay model           :  0.00133 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.3480 E-12 cm3/molecule-sec
      Half-Life =     0.479 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.743 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000967 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6.184E+004
      Log Koc:  4.791 

 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 = 4.602 (BCF = 4.001e+004)
       log Kow used: 6.89 (estimated)

 Volatilization from Water:
    Henry LC:  0.00771 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.763  hours
    Half-Life from Model Lake :        154  hours   (6.419 days)

 Removal In Wastewater Treatment:
    Total removal:              93.90  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.40  percent
    Total to Air:                0.74  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.18            11.5         1000       
   Water     2.17            900          1000       
   Soil      30.6            1.8e+003     1000       
   Sediment  67.1            8.1e+003     0          
     Persistence Time: 2.83e+003 hr

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