Try beta.chemspider
Methylcyclopentane
CC1CCCC1
InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
GDOPTJXRTPNYNR-UHFFFAOYSA-N
CSID:7024, http://www.chemspider.com/Chemical-Structure.7024.html (accessed 11:58, Apr 24, 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) = 3.10 Log Kow (Exper. database match) = 3.37 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 80.34 (Adapted Stein & Brown method) Melting Pt (deg C): -85.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 133 (Mean VP of Antoine & Grain methods) MP (exp database): -142.5 deg C BP (exp database): 71.8 deg C VP (exp database): 1.38E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 49.37 log Kow used: 3.37 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 42 mg/L (25 deg C) Exper. Ref: MCAULIFFE,C (1966) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 31.616 mg/L Wat Sol (Exper. database match) = 42.00 Exper. Ref: MCAULIFFE,C (1966) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.55E-001 atm-m3/mole Group Method: 2.34E-001 atm-m3/mole Exper Database: 3.63E-01 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.983E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.37 (exp database) Log Kaw used: 1.171 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.199 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7075 Biowin2 (Non-Linear Model) : 0.8598 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0132 (weeks ) Biowin4 (Primary Survey Model) : 3.7263 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5535 Biowin6 (MITI Non-Linear Model): 0.7175 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3159 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7752 BioHC Half-Life (days) : 5.9590 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.84E+004 Pa (138 mm Hg) Log Koa (Koawin est ): 2.199 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.63E-010 Octanol/air (Koa) model: 3.88E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.89E-009 Mackay model : 1.3E-008 Octanol/air (Koa) model: 3.11E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.6631 E-12 cm3/molecule-sec Half-Life = 1.889 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.665 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.47E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 145.3 Log Koc: 2.162 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 = 1.895 (BCF = 78.51) log Kow used: 3.37 (expkow database) Volatilization from Water: Henry LC: 0.363 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.9376 hours (56.26 min) Half-Life from Model Lake : 87.15 hours (3.631 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.32 percent Total biodegradation: 0.03 percent Total sludge adsorption: 5.34 percent Total to Air: 93.94 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 31.7 45.3 1000 Water 60.5 360 1000 Soil 5.75 720 1000 Sediment 2.07 3.24e+003 0 Persistence Time: 102 hr
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