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CAS Number: 1912-84-1
SMILES : [Sn](OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
CHEM : Stannous oleate
MOL FOR: C36 H66 O4 Sn1
MOL WT : 681.64
------------------------------ 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) = 12.06
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 706.53 (Adapted Stein & Brown method)
Melting Pt (deg C): 309.07 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.29E-017 (Modified Grain method)
VP (Pa, 25 deg C) : 9.72E-015 (Modified Grain method)
Subcooled liquid VP: 1.12E-013 mm Hg (25 deg C, Mod-Grain method)
: 1.49E-011 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.344e-009
log Kow used: 12.06 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.8164e-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 : 2.38E-001 atm-m3/mole (2.41E+004 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: 2.789E-008 atm-m3/mole (2.826E-003 Pa-m3/mole)
VP: 7.29E-017 mm Hg (source: MPBPVP)
WS: 2.34E-009 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 12.06 (KowWin est)
Log Kaw used: 0.988 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.072
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6399
Biowin2 (Non-Linear Model) : 0.0482
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2895 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4024 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2258
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4751
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): 1.49E-011 Pa (1.12E-013 mm Hg)
Log Koa (Koawin est ): 11.072
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.01E+005
Octanol/air (Koa) model: 0.029
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.699
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 149.0007 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 164.2007 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 0.861 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 0.782 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 26.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.699 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.35E+007 L/kg (MCI method)
Log Koc: 7.922 (MCI method)
Koc : 1.372E+007 L/kg (Kow method)
Log Koc: 7.137 (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 = 3.046 (BCF = 1111 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.0519 days (HL = 112.7 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.021 (BCF = 1.048)
Log BAF Arnot-Gobas method (upper trophic) = 2.592 (BAF = 391.1)
log Kow used: 12.06 (estimated)
Volatilization from Water:
Henry LC: 0.238 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.671 hours
Half-Life from Model Lake : 248.1 hours (10.34 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 0.0279 0.655 1000
Water 17.2 900 1000
Soil 81.2 1.8e+003 1000
Sediment 1.49 8.1e+003 0
Persistence Time: 1.09e+003 hr