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3-(6-Cyclopentylhexyl)-1,3-thiazolidine
C1CCC(C1)CCCCCCN2CCSC2
InChI=1S/C14H27NS/c1(3-7-14-8-4-5-9-14)2-6-10-15-11-12-16-13-15/h14H,1-13H2
VHJMZSVEFNBENR-UHFFFAOYSA-N
CSID:188556, http://www.chemspider.com/Chemical-Structure.188556.html (accessed 09:43, Aug 1, 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) = 4.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 320.08 (Adapted Stein & Brown method) Melting Pt (deg C): 98.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000128 (Modified Grain method) Subcooled liquid VP: 0.000668 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 24.15 log Kow used: 4.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 26.953 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.02E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.684E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.74 (KowWin est) Log Kaw used: -1.609 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.349 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4273 Biowin2 (Non-Linear Model) : 0.0664 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4108 (weeks-months) Biowin4 (Primary Survey Model) : 3.2114 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3561 Biowin6 (MITI Non-Linear Model): 0.2349 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8835 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): 0.0891 Pa (0.000668 mm Hg) Log Koa (Koawin est ): 6.349 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.37E-005 Octanol/air (Koa) model: 5.48E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00122 Mackay model : 0.00269 Octanol/air (Koa) model: 4.39E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.3113 E-12 cm3/molecule-sec Half-Life = 0.073 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.871 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00195 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.004E+004 Log Koc: 4.478 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 = 2.948 (BCF = 887.5) log Kow used: 4.74 (estimated) Volatilization from Water: Henry LC: 0.000602 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.097 hours Half-Life from Model Lake : 164.1 hours (6.836 days) Removal In Wastewater Treatment: Total removal: 71.29 percent Total biodegradation: 0.56 percent Total sludge adsorption: 64.25 percent Total to Air: 6.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.114 1.74 1000 Water 8.64 900 1000 Soil 80.1 1.8e+003 1000 Sediment 11.1 8.1e+003 0 Persistence Time: 1.07e+003 hr
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