ChemSpider 2D Image | TIPDSiCl2 | C12H28Cl2OSi2

TIPDSiCl2

  • Molecular FormulaC12H28Cl2OSi2
  • Average mass315.427 Da
  • Monoisotopic mass314.105560 Da
  • ChemSpider ID150665

More details:

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

1,3-Dichlor-1,1,3,3-tetraisopropyldisiloxan [German] [ACD/IUPAC Name]
1,3-Dichloro-1,1,3,3-tetraisopropyldisiloxane [ACD/IUPAC Name]
1,3-Dichloro-1,1,3,3-tétraisopropyldisiloxane [French] [ACD/IUPAC Name]
1,3-dichlorotetraisopropyldisiloxane
69304-37-6 [RN]
chloro({[chlorobis(propan-2-yl)silyl]oxy})bis(propan-2-yl)silane
Disiloxane, 1,3-dichloro-1,1,3,3-tetrakis(1-methylethyl)- [ACD/Index Name]
MFCD00009655 [MDL number]
TIPDSiCl2
[69304-37-6] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

337005_ALDRICH [DBID]
36508_FLUKA [DBID]
36520_FLUKA [DBID]
CCRIS 4693 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 262.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 104.6±10.8 °C
Index of Refraction: 1.438
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 230589.59
ACD/KOC (pH 5.5): 240046.70
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 230589.59
ACD/KOC (pH 7.4): 240046.70
Polar Surface Area: 9 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 22.3±3.0 dyne/cm
Molar Volume: 328.7±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) =  7.92

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  229.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.081  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.000285
       log Kow used: 7.92 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0012288 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.45E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.180E+002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.92  (KowWin est)
  Log Kaw used:  1.001  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.919
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5974
   Biowin2 (Non-Linear Model)     :   0.1869
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5021  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3926  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4257
   Biowin6 (MITI Non-Linear Model):   0.0011
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4639
 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):  10.2 Pa (0.0764 mm Hg)
  Log Koa (Koawin est  ): 6.919
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.95E-007 
       Octanol/air (Koa) model:  2.04E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.06E-005 
       Mackay model           :  2.36E-005 
       Octanol/air (Koa) model:  0.000163 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.8742 E-12 cm3/molecule-sec
      Half-Life =     1.083 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.999 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.71E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.991E+004
      Log Koc:  4.601 

 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 = 3.546 (BCF = 3518)
       log Kow used: 7.92 (estimated)

 Volatilization from Water:
    Henry LC:  0.245 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.817  hours
    Half-Life from Model Lake :      168.7  hours   (7.031 days)

 Removal In Wastewater Treatment:
    Total removal:              94.32  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    91.50  percent
    Total to Air:                2.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.299           26           1000       
   Water     1.93            900          1000       
   Soil      28.1            1.8e+003     1000       
   Sediment  69.7            8.1e+003     0          
     Persistence Time: 3.07e+003 hr

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