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CAS Number: 75-47-8


CHEM : Methane, triiodo-


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)


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

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