Try beta.chemspider
(Iodomethylene)cyclopentane
C1CCC(=CI)C1
InChI=1S/C6H9I/c7-5-6-3-1-2-4-6/h5H,1-4H2
ALTJMDCMMDVXAJ-UHFFFAOYSA-N
CSID:9195258, http://www.chemspider.com/Chemical-Structure.9195258.html (accessed 15:19, May 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) = 3.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 195.37 (Adapted Stein & Brown method) Melting Pt (deg C): -15.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.644 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 23.75 log Kow used: 3.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 273.84 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.48E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.423E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.78 (KowWin est) Log Kaw used: -0.218 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.998 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6485 Biowin2 (Non-Linear Model) : 0.5136 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7394 (weeks-months) Biowin4 (Primary Survey Model) : 3.5476 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1783 Biowin6 (MITI Non-Linear Model): 0.0755 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2825 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): 78.8 Pa (0.591 mm Hg) Log Koa (Koawin est ): 3.998 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.81E-008 Octanol/air (Koa) model: 2.44E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.38E-006 Mackay model : 3.05E-006 Octanol/air (Koa) model: 1.95E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.8732 E-12 cm3/molecule-sec Half-Life = 0.413 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.961 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.035125 E-17 cm3/molecule-sec Half-Life = 1.107 Days (at 7E11 mol/cm3) Half-Life = 26.571 Hrs Fraction sorbed to airborne particulates (phi): 2.21E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 280.7 Log Koc: 2.448 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.207 (BCF = 161) log Kow used: 3.78 (estimated) Volatilization from Water: Henry LC: 0.0148 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.529 hours Half-Life from Model Lake : 137.6 hours (5.734 days) Removal In Wastewater Treatment: Total removal: 86.79 percent Total biodegradation: 0.08 percent Total sludge adsorption: 13.23 percent Total to Air: 73.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.16 7.22 1000 Water 23.5 900 1000 Soil 71 1.8e+003 1000 Sediment 3.31 8.1e+003 0 Persistence Time: 335 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight