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CAS Number: 818-08-6
SMILES : CCCC[Sn](=O)CCCC
CHEM : Di-n-butyltin oxide
MOL FOR: C8 H18 O1 Sn1
MOL WT : 248.94
------------------------------ 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) = 5.33
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 174.74 (Adapted Stein & Brown method)
Melting Pt (deg C): -7.44 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.68 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 225 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.6727
log Kow used: 5.33 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 60.348 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 : Incomplete
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: 8.180E-001 atm-m3/mole (8.289E+004 Pa-m3/mole)
VP: 1.68 mm Hg (source: MPBPVP)
WS: 0.673 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8459
Biowin2 (Non-Linear Model) : 0.9593
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2457 (weeks )
Biowin4 (Primary Survey Model) : 4.0267 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4012
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1974
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): 205 Pa (1.54 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.46E-008
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.28E-007
Mackay model : 1.17E-006
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 28.4347 E-12 cm3/molecule-sec
Half-Life = 0.376 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.514 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.48E-007 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1277 L/kg (MCI method)
Log Koc: 3.106 (MCI method)
Koc : 4.222E+004 L/kg (Kow method)
Log Koc: 4.626 (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 = 4.584 (BCF = 3.836e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1663 days (HL = 1.467 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.759 (BCF = 574)
Log BAF Arnot-Gobas method (upper trophic) = 2.769 (BAF = 587.8)
log Kow used: 5.33 (estimated)
Volatilization from Water:
Henry LC: 0.818 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 1.611 hours
Half-Life from Model Lake : 149.9 hours (6.245 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.76 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 54.12 percent
Total to Air: 45.47 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 12.1 9.03 1000
Water 79.6 360 1000
Soil 4.81 720 1000
Sediment 3.45 3.24e+003 0
Persistence Time: 77.5 hr