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2-(Ethylsulfanyl)cyclopentanol
CCSC1CCCC1O
InChI=1S/C7H14OS/c1-2-9-7-5-3-4-6(7)8/h6-8H,2-5H2,1H3
MCVRYKRBWROZDT-UHFFFAOYSA-N
CSID:197501, http://www.chemspider.com/Chemical-Structure.197501.html (accessed 18:07, Apr 26, 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) = 1.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 231.44 (Adapted Stein & Brown method) Melting Pt (deg C): 9.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0106 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3069 log Kow used: 1.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10196 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.22E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.646E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.65 (KowWin est) Log Kaw used: -5.671 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.321 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8367 Biowin2 (Non-Linear Model) : 0.8859 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0359 (weeks ) Biowin4 (Primary Survey Model) : 3.7662 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5721 Biowin6 (MITI Non-Linear Model): 0.5517 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6341 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.32 Pa (0.00992 mm Hg) Log Koa (Koawin est ): 7.321 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.27E-006 Octanol/air (Koa) model: 5.14E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.19E-005 Mackay model : 0.000181 Octanol/air (Koa) model: 0.000411 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.2316 E-12 cm3/molecule-sec Half-Life = 0.322 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.862 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.000132 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 25.9 Log Koc: 1.413 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 = 0.571 (BCF = 3.722) log Kow used: 1.65 (estimated) Volatilization from Water: Henry LC: 5.22E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.357E+004 hours (565.2 days) Half-Life from Model Lake : 1.481E+005 hours (6170 days) Removal In Wastewater Treatment: Total removal: 2.03 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.93 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.477 7.73 1000 Water 32.1 360 1000 Soil 67.3 720 1000 Sediment 0.0835 3.24e+003 0 Persistence Time: 485 hr
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