Try beta.chemspider
(Iodomethyl)cyclobutane
C1CC(C1)CI
InChI=1S/C5H9I/c6-4-5-2-1-3-5/h5H,1-4H2
FHHQLLOJOKZLST-UHFFFAOYSA-N
CSID:2043750, http://www.chemspider.com/Chemical-Structure.2043750.html (accessed 03:12, Jun 5, 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) = 3.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 163.85 (Adapted Stein & Brown method) Melting Pt (deg C): -36.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.77 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 60.78 log Kow used: 3.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 254.78 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.53E-003 atm-m3/mole Group Method: 2.87E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.176E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.37 (KowWin est) Log Kaw used: -0.512 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.882 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6542 Biowin2 (Non-Linear Model) : 0.5560 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7660 (weeks ) Biowin4 (Primary Survey Model) : 3.5649 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2500 Biowin6 (MITI Non-Linear Model): 0.1068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5415 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): 337 Pa (2.53 mm Hg) Log Koa (Koawin est ): 3.882 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.89E-009 Octanol/air (Koa) model: 1.87E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.21E-007 Mackay model : 7.11E-007 Octanol/air (Koa) model: 1.5E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.1739 E-12 cm3/molecule-sec Half-Life = 4.920 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 59.043 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.16E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 152.2 Log Koc: 2.182 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.766E-013 L/mol-sec Kb Half-Life at pH 8: 2.828E+010 years Kb Half-Life at pH 7: 2.828E+011 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.894 (BCF = 78.42) log Kow used: 3.37 (estimated) Volatilization from Water: Henry LC: 0.00287 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.714 hours Half-Life from Model Lake : 136.1 hours (5.671 days) Removal In Wastewater Treatment: Total removal: 56.72 percent Total biodegradation: 0.09 percent Total sludge adsorption: 7.66 percent Total to Air: 48.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.3 118 1000 Water 19.5 360 1000 Soil 68.5 720 1000 Sediment 0.666 3.24e+003 0 Persistence Time: 330 hr
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