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CAS Number: 63397-60-4
SMILES : O=C(CC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)CCC(=O)OCCCC)OCCCC
CHEM : Propanoic acid, 3,3 -[bis[[2-(isooctyloxy)-2-oxoethyl]thio]stannylene
]bis-, dibutyl ester
MOL FOR: C34 H64 O8 S2 Sn1
MOL WT : 783.71
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 11.49
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 663.92 (Adapted Stein & Brown method)
Melting Pt (deg C): 286.23 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.94E-015 (Modified Grain method)
VP (Pa, 25 deg C) : 2.59E-013 (Modified Grain method)
Subcooled liquid VP: 1.53E-012 mm Hg (25 deg C, Mod-Grain method)
: 2.04E-010 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.49e-009
log Kow used: 11.49 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.8371e-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 : 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: 1.343E-006 atm-m3/mole (1.360E-001 Pa-m3/mole)
VP: 1.94E-015 mm Hg (source: MPBPVP)
WS: 1.49E-009 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) : 1.2880
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6248 (weeks-months)
Biowin4 (Primary Survey Model) : 4.1710 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8761
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6507
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): 2.04E-010 Pa (1.53E-012 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.47E+004
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 57.7621 E-12 cm3/molecule-sec
Half-Life = 0.185 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.222 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (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 : 1.696E+009 L/kg (MCI method)
Log Koc: 9.229 (MCI method)
Koc : 1.411E+007 L/kg (Kow method)
Log Koc: 7.149 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.867E+000 L/mol-sec
Kb Half-Life at pH 8: 2.798 days
Kb Half-Life at pH 7: 27.983 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.728 (BCF = 534.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.3694 days (HL = 0.04272 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8933)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8933)
log Kow used: 11.49 (estimated)
Volatilization from Water:
Henry LC: 1.34E-006 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 1224 hours (50.98 days)
Half-Life from Model Lake : 1.358E+004 hours (566 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 0.0879 4.44 1000
Water 7.4 900 1000
Soil 50.9 1.8e+003 1000
Sediment 41.6 8.1e+003 0
Persistence Time: 1.94e+003 hr