Isopropylcyclopentane
CC(C)C1CCCC1
InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
TVSBRLGQVHJIKT-UHFFFAOYSA-N
CSID:18604, http://www.chemspider.com/Chemical-Structure.18604.html (accessed 18:01, Apr 16, 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) = 4.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 114.04 (Adapted Stein & Brown method) Melting Pt (deg C): -72.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 14.3 (Mean VP of Antoine & Grain methods) MP (exp database): -111.4 deg C BP (exp database): 126.5 deg C VP (exp database): 1.62E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 11.67 log Kow used: 4.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.9574 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.50E-001 atm-m3/mole Group Method: 5.60E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.809E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.01 (KowWin est) Log Kaw used: 1.265 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.745 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6941 Biowin2 (Non-Linear Model) : 0.8046 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9512 (weeks ) Biowin4 (Primary Survey Model) : 3.6858 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4198 Biowin6 (MITI Non-Linear Model): 0.5105 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0705 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.9693 BioHC Half-Life (days) : 9.3170 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.16E+003 Pa (16.2 mm Hg) Log Koa (Koawin est ): 2.745 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.39E-009 Octanol/air (Koa) model: 1.36E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.02E-008 Mackay model : 1.11E-007 Octanol/air (Koa) model: 1.09E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.6486 E-12 cm3/molecule-sec Half-Life = 1.237 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.841 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.06E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 443.1 Log Koc: 2.646 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 = 2.388 (BCF = 244.5) log Kow used: 4.01 (estimated) Volatilization from Water: Henry LC: 0.45 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.082 hours Half-Life from Model Lake : 100.6 hours (4.193 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.50 percent Total biodegradation: 0.06 percent Total sludge adsorption: 17.52 percent Total to Air: 81.92 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 21.6 29.7 1000 Water 55 360 1000 Soil 16.2 720 1000 Sediment 7.17 3.24e+003 0 Persistence Time: 111 hr
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