1,2-Bis[dimethyl(2-methyl-2-propanyl)silyl]hydrazine C12H32N2Si2 structure

C12H32N2Si2 structure
Molecular Formula C12H32N2Si2
Average mass 260.567 Da
Density 0.8±0.1 g/cm3
Boiling Point 256.2±9.0 °C at 760 mmHg
Flash Point 108.7±18.7 °C
Molar Refractivity 82.2±0.3 cm3
Polarizability 32.6±0.5 10-24cm3
Surface Tension 20.7±3.0 dyne/cm
Molar Volume 315.8±3.0 cm3

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

Density: 0.8±0.1 g/cm3
Boiling Point: 256.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 108.7±18.7 °C
Index of Refraction: 1.434
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 5.56
ACD/KOC (pH 5.5): 15.67
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 9.66
ACD/KOC (pH 7.4): 27.24
Polar Surface Area: 24 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 20.7±3.0 dyne/cm
Molar Volume: 315.8±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) = 4.98

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 231.41 (Adapted Stein & Brown method)
 Melting Pt (deg C): 40.62 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0496 (Modified Grain method)
 Subcooled liquid VP: 0.0686 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): 1.157
 log Kow used: 4.98 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 6.2971 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Hydrazines
 Silamines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.99E-006 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 1.470E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 4.98 (KowWin est)
 Log Kaw used: -4.090 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 9.070
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.2556
 Biowin2 (Non-Linear Model) : 0.0157
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.1991 (months )
 Biowin4 (Primary Survey Model) : 3.1649 (weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : -0.2967
 Biowin6 (MITI Non-Linear Model): 0.0000
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): -0.6281
 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): 9.15 Pa (0.0686 mm Hg)
 Log Koa (Koawin est ): 9.070
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.28E-007 
 Octanol/air (Koa) model: 0.000288 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.18E-005 
 Mackay model : 2.62E-005 
 Octanol/air (Koa) model: 0.0226 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 1.6021 E-12 cm3/molecule-sec
 Half-Life = 6.676 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 80.116 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.9E-005 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1.548E+004
 Log Koc: 4.190 

 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 = 3.134 (BCF = 1360)
 log Kow used: 4.98 (estimated)

 Volatilization from Water:
 Henry LC: 1.99E-006 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 476.6 hours (19.86 days)
 Half-Life from Model Lake : 5334 hours (222.3 days)

 Removal In Wastewater Treatment:
 Total removal: 77.07 percent
 Total biodegradation: 0.67 percent
 Total sludge adsorption: 76.37 percent
 Total to Air: 0.02 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.905 160 1000 
 Water 8.78 1.44e+003 1000 
 Soil 64.7 2.88e+003 1000 
 Sediment 25.7 1.3e+004 0 
 Persistence Time: 2.3e+003 hr




 

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