Iodomethane
CI
InChI=1S/CH3I/c1-2/h1H3
INQOMBQAUSQDDS-UHFFFAOYSA-N
CSID:6088, http://www.chemspider.com/Chemical-Structure.6088.html (accessed 03:14, Apr 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.59 Log Kow (Exper. database match) = 1.51 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): 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) MP (exp database): -66.4 deg C BP (exp database): 42.5 deg C VP (exp database): 4.05E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): 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 Wat Sol (Exper. database match) = 13800.00 Exper. Ref: HORVATH,AL (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.50E-003 atm-m3/mole Group Method: 5.23E-003 atm-m3/mole Exper Database: 5.26E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.788E-002 atm-m3/mole 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,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: 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 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.463 (BCF = 2.902) 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 6.48 720 1000 Sediment 0.0997 3.24e+003 0 Persistence Time: 153 hr
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