Diisopropyl(dimethoxy)silane C8H20O2Si structure

C8H20O2Si structure
Molecular Formula C8H20O2Si
Average mass 176.329 Da
Density 0.8±0.1 g/cm3
Boiling Point 165.2±8.0 °C at 760 mmHg
Flash Point 52.1±6.0 °C
Molar Refractivity 51.2±0.3 cm3
Polarizability 20.3±0.5 10-24cm3
Surface Tension 20.0±3.0 dyne/cm
Molar Volume 209.8±3.0 cm3

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

Density: 0.8±0.1 g/cm3
Boiling Point: 165.2±8.0 °C at 760 mmHg
Vapour Pressure: 2.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 52.1±6.0 °C
Index of Refraction: 1.403
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.39
ACD/KOC (pH 5.5): 222.87
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.39
ACD/KOC (pH 7.4): 222.87
Polar Surface Area: 18 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 20.0±3.0 dyne/cm
Molar Volume: 209.8±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) = 2.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 139.30 (Adapted Stein & Brown method)
 Melting Pt (deg C): -51.62 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 6.56 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 509.3
 log Kow used: 2.40 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1.1484e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Silanes (alkoxy)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 3.68E-003 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 2.988E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 2.40 (KowWin est)
 Log Kaw used: -0.823 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 3.223
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6636
 Biowin2 (Non-Linear Model) : 0.6236
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.8095 (weeks )
 Biowin4 (Primary Survey Model) : 3.5933 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.0887
 Biowin6 (MITI Non-Linear Model): 0.0661
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.0270
 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): 805 Pa (6.04 mm Hg)
 Log Koa (Koawin est ): 3.223
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.73E-009 
 Octanol/air (Koa) model: 4.1E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.35E-007 
 Mackay model : 2.98E-007 
 Octanol/air (Koa) model: 3.28E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 6.5963 E-12 cm3/molecule-sec
 Half-Life = 1.622 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 19.458 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 2.16E-007 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1934
 Log Koc: 3.286 

 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 = 1.150 (BCF = 14.12)
 log Kow used: 2.40 (estimated)

 Volatilization from Water:
 Henry LC: 0.00368 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.566 hours
 Half-Life from Model Lake : 128.4 hours (5.351 days)

 Removal In Wastewater Treatment:
 Total removal: 60.02 percent
 Total biodegradation: 0.05 percent
 Total sludge adsorption: 1.61 percent
 Total to Air: 58.35 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 19 38.9 1000 
 Water 44.6 360 1000 
 Soil 36.1 720 1000 
 Sediment 0.266 3.24e+003 0 
 Persistence Time: 144 hr




 

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