This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 301-10-0
SMILES : O=C(O[Sn]OC(=O)C(CC)CCCC)C(CC)CCCC
CHEM : STANNOUS OCTOATE
MOL FOR: C16 H30 O4 Sn1
MOL WT : 405.13
------------------------------ 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) = 2.52
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 453.32 (Adapted Stein & Brown method)
Melting Pt (deg C): 171.21 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.25E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 1.67E-006 (Modified Grain method)
Subcooled liquid VP: 4.06E-007 mm Hg (25 deg C, Mod-Grain method)
: 5.42E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 20.1
log Kow used: 2.52 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.3444 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 : 1.06E-003 atm-m3/mole (1.08E+002 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: 3.315E-010 atm-m3/mole (3.359E-005 Pa-m3/mole)
VP: 1.25E-008 mm Hg (source: MPBPVP)
WS: 20.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.52 (KowWin est)
Log Kaw used: -1.363 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.883
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7715
Biowin2 (Non-Linear Model) : 0.7198
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9006 (weeks )
Biowin4 (Primary Survey Model) : 3.8014 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0652
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2414
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): 5.41E-005 Pa (4.06E-007 mm Hg)
Log Koa (Koawin est ): 3.883
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0554
Octanol/air (Koa) model: 1.87E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.667
Mackay model : 0.816
Octanol/air (Koa) model: 1.5E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 12.7363 E-12 cm3/molecule-sec
Half-Life = 0.840 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.078 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.741 (Junge-Pankow, Mackay avg)
1.5E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 452.1 L/kg (MCI method)
Log Koc: 2.655 (MCI method)
Koc : 72.51 L/kg (Kow method)
Log Koc: 1.860 (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 = 2.729 (BCF = 535.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9421 days (HL = 0.1143 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.281 (BCF = 19.08)
Log BAF Arnot-Gobas method (upper trophic) = 1.281 (BAF = 19.08)
log Kow used: 2.52 (estimated)
Volatilization from Water:
Henry LC: 0.00106 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.166 hours
Half-Life from Model Lake : 203.3 hours (8.471 days)
Removal In Wastewater Treatment:
Total removal: 32.59 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 2.43 percent
Total to Air: 30.08 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.07 20.2 1000
Water 15.9 360 1000
Soil 81.8 720 1000
Sediment 0.287 3.24e+003 0
Persistence Time: 461 hr