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CAS Number: 7553-56-2
SMILES : II
CHEM : Iodine
MOL FOR: I2
MOL WT : 253.81
------------------------------ 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):
*** WARNING: Inorganic Compound (Outside Estimation Domain)
Log Kow (KOWWIN v1.68 estimate) = 1.86
Log Kow (Exper. database match) = 2.49
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 546.86 (Adapted Stein & Brown method)
Melting Pt (deg C): 219.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.127 (Modified Grain method)
VP (Pa, 25 deg C) : 16.9 (Modified Grain method)
MP (exp database): 113.6 deg C
BP (exp database): 185.24 deg C
VP (exp database): 2.33E-01 mm Hg (3.11E+001 Pa) at 25 deg C
Subcooled liquid VP: 1.75 mm Hg (25 deg C, exp database VP )
: 234 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
Water Solubility at 25 deg C (mg/L): 168.4
log Kow used: 2.49 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 330 mg/L (25 deg C)
Exper. Ref: CLAYTON,GD & CLAYTON,FE (1994)
Water Sol Estimate from Fragments:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
*** WARNING: Wat Sol Estimation NOT Valid ***
Wat Sol (v1.01 est) = 3155.4 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : Incomplete
Group Method: 2.45E-002 atm-m3/mole (2.48E+003 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: 2.519E-004 atm-m3/mole (2.552E+001 Pa-m3/mole)
VP: 0.127 mm Hg (source: MPBPVP)
WS: 168 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
*** WARNING: Estimation NOT VALID ***
Biowin1 (Linear Model) : 0.6267
Biowin2 (Non-Linear Model) : 0.3554
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6383 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4816 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0429
Biowin6 (MITI Non-Linear Model): 0.0082
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 233 Pa (1.75 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.29E-008
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.64E-007
Mackay model : 1.03E-006
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec
Half-Life = -------
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.46E-007 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
*** WARNING: Inorganic Coumpound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Koc : 13.22 L/kg (MCI method)
Log Koc: 1.121 (MCI method)
Koc : 144.8 L/kg (Kow method)
Log Koc: 2.161 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.026E-009 L/mol-sec
Kb Half-Life at pH 8: 2.140E+007 years
Kb Half-Life at pH 7: 2.140E+008 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.310 (BCF = 20.41 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4226 days (HL = 0.03779 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.992 (BCF = 9.812)
Log BAF Arnot-Gobas method (upper trophic) = 0.992 (BAF = 9.812)
log Kow used: 2.49 (expkow database)
Volatilization from Water:
Henry LC: 0.0245 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.664 hours
Half-Life from Model Lake : 151.7 hours (6.322 days)
Removal In Wastewater Treatment:
Total removal: 90.55 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 1.16 percent
Total to Air: 89.37 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 51.2 1e+005 1000
Water 47 900 1000
Soil 1.63 1.8e+003 1000
Sediment 0.119 8.1e+003 0
Persistence Time: 168 hr