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CAS Number: 1067-33-0
SMILES : CCCC[Sn](CCCC)(OC(=O)(C))OC(=O)(C)
CHEM : Dibutyl tin diacetate
MOL FOR: C12 H24 O4 Sn1
MOL WT : 351.03
------------------------------ 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) = 0.81
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 291.84 (Adapted Stein & Brown method)
Melting Pt (deg C): 55.25 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00301 (Modified Grain method)
VP (Pa, 25 deg C) : 0.401 (Modified Grain method)
MP (exp database): 10 deg C
BP (exp database): 130 @ 2.25 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1233
log Kow used: 0.81 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 6 mg/L (20 deg C)
Exper. Ref: BLUNDEN,SJ ET AL. (1984)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 274.7 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 : 5.58E-004 atm-m3/mole (5.65E+001 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: 1.128E-006 atm-m3/mole (1.142E-001 Pa-m3/mole)
VP: 0.00301 mm Hg (source: MPBPVP)
WS: 1.23E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.81 (KowWin est)
Log Kaw used: -1.642 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.452
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7973
Biowin2 (Non-Linear Model) : 0.8470
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0201 (weeks )
Biowin4 (Primary Survey Model) : 3.8794 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0983
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0383
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): 0.401 Pa (0.00301 mm Hg)
Log Koa (Koawin est ): 2.452
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.48E-006
Octanol/air (Koa) model: 6.95E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00027
Mackay model : 0.000598
Octanol/air (Koa) model: 5.56E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 28.5190 E-12 cm3/molecule-sec
Half-Life = 0.375 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.501 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000434 (Junge-Pankow, Mackay avg)
5.56E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 34.44 L/kg (MCI method)
Log Koc: 1.537 (MCI method)
Koc : 8.214 L/kg (Kow method)
Log Koc: 0.915 (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) = -0.9933 days (HL = 0.1015 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.160 (BCF = 1.445)
Log BAF Arnot-Gobas method (upper trophic) = 0.160 (BAF = 1.445)
log Kow used: 0.81 (estimated)
Volatilization from Water:
Henry LC: 0.000558 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.878 hours
Half-Life from Model Lake : 199.4 hours (8.308 days)
Removal In Wastewater Treatment:
Total removal: 21.14 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 1.48 percent
Total to Air: 19.59 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.15 9 1000
Water 40.8 360 1000
Soil 54.9 720 1000
Sediment 0.133 3.24e+003 0
Persistence Time: 188 hr