Try beta.chemspider
2-Iodo-2-methylpentane
CCCC(C)(C)I
InChI=1S/C6H13I/c1-4-5-6(2,3)7/h4-5H2,1-3H3
KCNIMEJTKUGMLA-UHFFFAOYSA-N
CSID:4935121, http://www.chemspider.com/Chemical-Structure.4935121.html (accessed 22:43, May 9, 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) = 3.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 158.21 (Adapted Stein & Brown method) Melting Pt (deg C): -38.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.56 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 16.51 log Kow used: 3.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 76.414 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.27E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.017E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.94 (KowWin est) Log Kaw used: -0.032 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.972 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4627 Biowin2 (Non-Linear Model) : 0.1511 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5184 (weeks-months) Biowin4 (Primary Survey Model) : 3.3883 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2489 Biowin6 (MITI Non-Linear Model): 0.0928 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3151 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): 435 Pa (3.26 mm Hg) Log Koa (Koawin est ): 3.972 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.9E-009 Octanol/air (Koa) model: 2.3E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.49E-007 Mackay model : 5.52E-007 Octanol/air (Koa) model: 1.84E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.7369 E-12 cm3/molecule-sec Half-Life = 3.908 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 46.896 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.01E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 178.2 Log Koc: 2.251 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.452E-013 L/mol-sec Kb Half-Life at pH 8: 4.933E+010 years Kb Half-Life at pH 7: 4.933E+011 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.330 (BCF = 213.9) log Kow used: 3.94 (estimated) Volatilization from Water: Henry LC: 0.0227 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.524 hours Half-Life from Model Lake : 138.7 hours (5.781 days) Removal In Wastewater Treatment: Total removal: 91.19 percent Total biodegradation: 0.09 percent Total sludge adsorption: 16.91 percent Total to Air: 74.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 12.1 93.8 1000 Water 21.4 900 1000 Soil 62.2 1.8e+003 1000 Sediment 4.38 8.1e+003 0 Persistence Time: 368 hr
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