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CAS Number: 3648-18-8
SMILES : O=C(O[Sn](OC(=O)CCCCCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCCCCC
CHEM : Stannane, dioctylbis[(1-oxododecyl)oxy]-
MOL FOR: C40 H80 O4 Sn1
MOL WT : 743.79
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 14.56
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 623.88 (Adapted Stein & Brown method)
Melting Pt (deg C): 270.47 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.49E-014 (Modified Grain method)
VP (Pa, 25 deg C) : 4.66E-012 (Modified Grain method)
Subcooled liquid VP: 1.75E-011 mm Hg (25 deg C, Mod-Grain method)
: 2.33E-009 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.523e-012
log Kow used: 14.56 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.4379e-007 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
SHOULD NOT BE PROFILED
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.56E+000 atm-m3/mole (1.58E+005 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 5.236E-003 atm-m3/mole (5.306E+002 Pa-m3/mole)
VP: 3.49E-014 mm Hg (source: MPBPVP)
WS: 6.52E-012 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 14.56 (KowWin est)
Log Kaw used: 1.805 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.755
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8272
Biowin2 (Non-Linear Model) : 0.4555
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7488 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8509 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3135
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1305
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): 2.33E-009 Pa (1.75E-011 mm Hg)
Log Koa (Koawin est ): 12.755
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.29E+003
Octanol/air (Koa) model: 1.4
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.991
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 65.6923 E-12 cm3/molecule-sec
Half-Life = 0.163 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.954 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.991 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7.497E+008 L/kg (MCI method)
Log Koc: 8.875 (MCI method)
Koc : 3.312E+008 L/kg (Kow method)
Log Koc: 8.520 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.000 (BCF = 100 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.9712 days (HL = 935.8 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8946)
Log BAF Arnot-Gobas method (upper trophic) = 0.915 (BAF = 8.22)
log Kow used: 14.56 (estimated)
Volatilization from Water:
Henry LC: 1.56 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.784 hours
Half-Life from Model Lake : 259.1 hours (10.79 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.132 3.91 1000
Water 16.4 900 1000
Soil 83.4 1.8e+003 1000
Sediment 0.0404 8.1e+003 0
Persistence Time: 1.17e+003 hr