ChemSpider 2D Image | Diphenylsilanediol | C12H12O2Si

Diphenylsilanediol

  • Molecular FormulaC12H12O2Si
  • Average mass216.308 Da
  • Monoisotopic mass216.060654 Da
  • ChemSpider ID13100

More details:






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

213-427-4 [EINECS]
36X37P8NBB
947-42-2 [RN]
Dihydroxydiphenylsilane
Diphenylsilandiol [German] [ACD/IUPAC Name]
Diphenylsilanediol [ACD/IUPAC Name] [Wiki]
Diphénylsilanediol [French] [ACD/IUPAC Name]
Silanediol, 1,1-diphenyl- [ACD/Index Name]
(Dihydroxydiphenylsilane)
[947-42-2]
More...

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

43300_FLUKA [DBID]
AI3-51470 [DBID]
AIDS167495 [DBID]
AIDS-167495 [DBID]
BRN 2523445 [DBID]
D213705_ALDRICH [DBID]
NSC 12561 [DBID]
NSC12561 [DBID]
NSC179700 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 352.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 167.1±23.2 °C
Index of Refraction: 1.615
Molar Refractivity: 63.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 166.79
ACD/KOC (pH 5.5): 1355.93
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 166.79
ACD/KOC (pH 7.4): 1355.90
Polar Surface Area: 40 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 181.3±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) =  2.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  374.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  119.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.39E-008  (Modified Grain method)
    Subcooled liquid VP: 4.67E-007 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):  669.8
       log Kow used: 2.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.5337e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.39E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.290E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.03  (KowWin est)
  Log Kaw used:  -8.746  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.776
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9007
   Biowin2 (Non-Linear Model)     :   0.9717
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7652  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5454  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1508
   Biowin6 (MITI Non-Linear Model):   0.0746
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3181
 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):  6.23E-005 Pa (4.67E-007 mm Hg)
  Log Koa (Koawin est  ): 10.776
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0482 
       Octanol/air (Koa) model:  0.0147 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.635 
       Mackay model           :  0.794 
       Octanol/air (Koa) model:  0.54 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.7997 E-12 cm3/molecule-sec
      Half-Life =     0.990 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.885 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.715 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.866E+004
      Log Koc:  4.457 

 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 = 0.860 (BCF = 7.247)
       log Kow used: 2.03 (estimated)

 Volatilization from Water:
    Henry LC:  4.39E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.961E+007  hours   (8.173E+005 days)
    Half-Life from Model Lake :  2.14E+008  hours   (8.916E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               2.27  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.18  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00246         23.8         1000       
   Water     22.5            360          1000       
   Soil      77.4            720          1000       
   Sediment  0.082           3.24e+003    0          
     Persistence Time: 712 hr




                    

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