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CAS Number: 56-36-0
SMILES : CCCC[Sn](CCCC)(CCCC)OC(=O)(C)
CHEM : Tributyl tin acetate
MOL FOR: C14 H30 O2 Sn1
MOL WT : 349.10
------------------------------ 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) = 3.24
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 315.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 72.12 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000235 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0313 (Modified Grain method)
MP (exp database): 84.7 deg C
VP (exp database): 2.70E-03 mm Hg (3.60E-001 Pa) at 20 deg C
Subcooled liquid VP: 0.0105 mm Hg (20 deg C, exp database VP )
: 1.4 Pa (20 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 10.78
log Kow used: 3.24 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 65 mg/L ( deg C)
Exper. Ref: BLUNDEN,SJ ET AL. (1984)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.7769 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 : 5.81E-002 atm-m3/mole (5.88E+003 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.91E-05 atm-m3/mole (1.94E+000 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.001E-005 atm-m3/mole (1.015E+000 Pa-m3/mole)
VP: 0.000235 mm Hg (source: MPBPVP)
WS: 10.8 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.24 (KowWin est)
Log Kaw used: -3.107 (exp database)
Log Koa (KOAWIN v1.10 estimate): 6.347
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9066
Biowin2 (Non-Linear Model) : 0.9729
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3227 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1513 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2523
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2015
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): 1.4 Pa (0.0105 mm Hg)
Log Koa (Koawin est ): 6.347
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.14E-006
Octanol/air (Koa) model: 5.46E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.74E-005
Mackay model : 0.000171
Octanol/air (Koa) model: 4.37E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 42.6942 E-12 cm3/molecule-sec
Half-Life = 0.251 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.006 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000124 (Junge-Pankow, Mackay avg)
4.37E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1648 L/kg (MCI method)
Log Koc: 3.217 (MCI method)
Koc : 307.6 L/kg (Kow method)
Log Koc: 2.488 (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 = 3.203 (BCF = 1596 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1368 days (HL = 0.7299 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.057 (BCF = 114.1)
Log BAF Arnot-Gobas method (upper trophic) = 2.057 (BAF = 114.2)
log Kow used: 3.24 (estimated)
Volatilization from Water:
Henry LC: 1.91E-005 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 59.18 hours (2.466 days)
Half-Life from Model Lake : 802.3 hours (33.43 days)
Removal In Wastewater Treatment:
Total removal: 9.26 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 8.14 percent
Total to Air: 0.98 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.989 6.01 1000
Water 26.6 208 1000
Soil 71.4 416 1000
Sediment 0.978 1.87e+003 0
Persistence Time: 279 hr