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: 74-88-4
SMILES : CI
CHEM : Methane, iodo-
MOL FOR: C1 H3 I1
MOL WT : 141.94
------------------------------ 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) = 1.59
Log Kow (Exper. database match) = 1.51
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 64.05 (Adapted Stein & Brown method)
Melting Pt (deg C): -95.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 404 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 5.39E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -66.4 deg C
BP (exp database): 42.5 deg C
VP (exp database): 4.05E+02 mm Hg (5.40E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4219
log Kow used: 1.51 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.38e+004 mg/L (20 deg C)
Exper. Ref: HORVATH,AL (1982)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 10063 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.50E-003 atm-m3/mole (5.57E+002 Pa-m3/mole)
Group Method: 5.23E-003 atm-m3/mole (5.30E+002 Pa-m3/mole)
Exper Database: 5.26E-03 atm-m3/mole (5.33E+002 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: 1.788E-002 atm-m3/mole (1.812E+003 Pa-m3/mole)
VP: 404 mm Hg (source: MPBPVP)
WS: 4.22E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.51 (exp database)
Log Kaw used: -0.667 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.177
Log Koa (experimental database): 2.160
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6800
Biowin2 (Non-Linear Model) : 0.7297
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8855 (weeks )
Biowin4 (Primary Survey Model) : 3.6430 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2903
Biowin6 (MITI Non-Linear Model): 0.1747
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7565
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): 5.4E+004 Pa (405 mm Hg)
Log Koa (Exp database): 2.160
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.56E-011
Octanol/air (Koa) model: 3.55E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.01E-009
Mackay model : 4.44E-009
Octanol/air (Koa) model: 2.84E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0721 E-12 cm3/molecule-sec
Half-Life = 148.391 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.23E-009 (Junge-Pankow, Mackay avg)
2.84E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 13.22 L/kg (MCI method)
Log Koc: 1.121 (MCI method)
Koc : 20.42 L/kg (Kow method)
Log Koc: 1.310 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.752E-005 L/mol-sec
Kb Half-Life at pH 8: 462.160 years
Kb Half-Life at pH 7: 4621.596 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.663 (BCF = 4.606 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1919 days (HL = 0.06429 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.502 (BCF = 3.178)
Log BAF Arnot-Gobas method (upper trophic) = 0.502 (BAF = 3.178)
log Kow used: 1.51 (expkow database)
Volatilization from Water:
Henry LC: 0.00526 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.348 hours
Half-Life from Model Lake : 114.6 hours (4.775 days)
Removal In Wastewater Treatment:
Total removal: 67.74 percent
Total biodegradation: 0.04 percent
Total sludge adsorption: 0.83 percent
Total to Air: 66.87 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 51.7 3.57e+003 1000
Water 41.8 360 1000
Soil 6.47 720 1000
Sediment 0.0997 3.24e+003 0
Persistence Time: 153 hr