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CAS Number: 75-47-8
SMILES : C(I)(I)I
CHEM : Methane, triiodo-
MOL FOR: C1 H1 I3
MOL WT : 393.73
------------------------------ 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) = 3.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 252.12 (Adapted Stein & Brown method)
Melting Pt (deg C): 10.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0237 (Modified Grain method)
VP (Pa, 25 deg C) : 3.16 (Modified Grain method)
MP (exp database): 119 deg C
BP (exp database): 218 deg C
Subcooled liquid VP: 0.203 mm Hg (25 deg C, Mod-Grain method)
: 27 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 8.583
log Kow used: 3.03 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 100 mg/L ( deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 121.31 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.06E-005 atm-m3/mole (3.10E+000 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: 1.431E-003 atm-m3/mole (1.449E+002 Pa-m3/mole)
VP: 0.0237 mm Hg (source: MPBPVP)
WS: 8.58 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.03 (KowWin est)
Log Kaw used: -2.903 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.933
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5601
Biowin2 (Non-Linear Model) : 0.0703
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3291 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2797 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5099
Biowin6 (MITI Non-Linear Model): 0.0001
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6702
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): 27.1 Pa (0.203 mm Hg)
Log Koa (Koawin est ): 5.933
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.11E-007
Octanol/air (Koa) model: 2.1E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4E-006
Mackay model : 8.87E-006
Octanol/air (Koa) model: 1.68E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2888 E-12 cm3/molecule-sec
Half-Life = 37.033 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.44E-006 (Junge-Pankow, Mackay avg)
1.68E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 31.82 L/kg (MCI method)
Log Koc: 1.503 (MCI method)
Koc : 425.9 L/kg (Kow method)
Log Koc: 2.629 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.722E-008 L/mol-sec
Kb Half-Life at pH 8: 1.276E+006 years
Kb Half-Life at pH 7: 1.276E+007 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.669 (BCF = 46.66 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.8054 days (HL = 0.01565 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.827 (BCF = 6.715)
Log BAF Arnot-Gobas method (upper trophic) = 0.827 (BAF = 6.715)
log Kow used: 3.03 (estimated)
Volatilization from Water:
Henry LC: 3.06E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 39.99 hours (1.666 days)
Half-Life from Model Lake : 602.6 hours (25.11 days)
Removal In Wastewater Treatment:
Total removal: 7.47 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.77 percent
Total to Air: 1.58 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 5.92 889 1000
Water 31.9 900 1000
Soil 62.1 1.8e+003 1000
Sediment 0.109 8.1e+003 0
Persistence Time: 693 hr