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CAS Number: 683-18-1
SMILES : CL[Sn](CL)(CCCC)CCCC
CHEM : Stannane, dibutyldichloro-
MOL FOR: C8 H18 CL2 Sn1
MOL WT : 303.85
------------------------------ 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) = 1.89
Log Kow (Exper. database match) = 1.56
Exper. Ref: DAYLIGHT (1999)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 230.33 (Adapted Stein & Brown method)
Melting Pt (deg C): 22.34 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0787 (Modified Grain method)
VP (Pa, 25 deg C) : 10.5 (Modified Grain method)
MP (exp database): 42 deg C
BP (exp database): 135 @ 10 mm Hg deg C
Subcooled liquid VP: 0.112 mm Hg (25 deg C, Mod-Grain method)
: 15 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 542.5
log Kow used: 1.56 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 92 mg/L (20 deg C)
Exper. Ref: BLUNDEN,SJ ET AL. (1984)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 19.625 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: 5.800E-005 atm-m3/mole (5.877E+000 Pa-m3/mole)
VP: 0.0787 mm Hg (source: MPBPVP)
WS: 543 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) : 0.8198
Biowin2 (Non-Linear Model) : 0.9154
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1244 (weeks )
Biowin4 (Primary Survey Model) : 3.9475 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2378
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): 14.9 Pa (0.112 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.01E-007
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.26E-006
Mackay model : 1.61E-005
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):
1.17E-005 (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 : 1860 L/kg (MCI method)
Log Koc: 3.270 (MCI method)
Koc : 22.57 L/kg (Kow method)
Log Koc: 1.354 (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 = 0.696 (BCF = 4.969 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1332 days (HL = 0.07359 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.550 (BCF = 3.548)
Log BAF Arnot-Gobas method (upper trophic) = 0.550 (BAF = 3.548)
log Kow used: 1.56 (expkow database)
Volatilization from Water:
Henry LC: 5.8E-005 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 19.38 hours
Half-Life from Model Lake : 357.5 hours (14.9 days)
Removal In Wastewater Treatment:
Total removal: 4.93 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.85 percent
Total to Air: 2.99 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.972 9.03 1000
Water 21.8 360 1000
Soil 75.8 720 1000
Sediment 1.34 3.24e+003 0
Persistence Time: 451 hr