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CAS Number: 8008-53-5
SMILES : CCOC(=O)CCCCCCCC(I)CCC(I)CCCCCC
CHEM : ETHIODIZED OIL
MOL FOR: C20 H38 I2 O2
MOL WT : 564.33
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 10.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 455.75 (Adapted Stein & Brown method)
Melting Pt (deg C): 161.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.41E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 1.87E-006 (Modified Grain method)
Subcooled liquid VP: 3.54E-007 mm Hg (25 deg C, Mod-Grain method)
: 4.72E-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): 6.622e-007
log Kow used: 10.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.6447e-006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.21E-004 atm-m3/mole (1.22E+001 Pa-m3/mole)
Group Method: 1.44E-005 atm-m3/mole (1.46E+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: 1.581E-002 atm-m3/mole (1.602E+003 Pa-m3/mole)
VP: 1.41E-008 mm Hg (source: MPBPVP)
WS: 6.62E-007 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.09 (KowWin est)
Log Kaw used: -2.306 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.396
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7615
Biowin2 (Non-Linear Model) : 0.7147
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3906 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5316 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0177
Biowin6 (MITI Non-Linear Model): 0.0064
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5892
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): 4.72E-005 Pa (3.54E-007 mm Hg)
Log Koa (Koawin est ): 12.396
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0636
Octanol/air (Koa) model: 0.611
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.697
Mackay model : 0.836
Octanol/air (Koa) model: 0.98
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 20.1849 E-12 cm3/molecule-sec
Half-Life = 0.530 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.359 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.766 (Junge-Pankow, Mackay avg)
0.98 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.227E+005 L/kg (MCI method)
Log Koc: 5.348 (MCI method)
Koc : 2.758E+006 L/kg (Kow method)
Log Koc: 6.441 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.266E-002 L/mol-sec
Kb Half-Life at pH 8: 128.021 days
Kb Half-Life at pH 7: 3.505 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.013 (BCF = 102.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1385 days (HL = 0.727 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.004 (BCF = 1.01)
Log BAF Arnot-Gobas method (upper trophic) = 0.058 (BAF = 1.144)
log Kow used: 10.09 (estimated)
Volatilization from Water:
Henry LC: 1.44E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 99.01 hours (4.125 days)
Half-Life from Model Lake : 1279 hours (53.3 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 0.303 12.7 1000
Water 15.3 900 1000
Soil 84.1 1.8e+003 1000
Sediment 0.329 8.1e+003 0
Persistence Time: 1.27e+003 hr