2-(5-Hexen-1-yl)-2-methyl-1,3-thiazolidine
CC1(NCCS1)CCCCC=C
InChI=1S/C10H19NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h3,11H,1,4-9H2,2H3
LDYYISQCYJWBKR-UHFFFAOYSA-N
CSID:2319884, http://www.chemspider.com/Chemical-Structure.2319884.html (accessed 04:15, Apr 20, 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) = 3.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 262.63 (Adapted Stein & Brown method) Melting Pt (deg C): 65.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00573 (Modified Grain method) Subcooled liquid VP: 0.0139 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): 368.1 log Kow used: 3.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 336.87 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.98E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.796E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.70 (KowWin est) Log Kaw used: -2.092 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.792 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6292 Biowin2 (Non-Linear Model) : 0.4412 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6019 (weeks-months) Biowin4 (Primary Survey Model) : 3.4702 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5178 Biowin6 (MITI Non-Linear Model): 0.3979 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2429 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): 1.85 Pa (0.0139 mm Hg) Log Koa (Koawin est ): 5.792 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-006 Octanol/air (Koa) model: 1.52E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.85E-005 Mackay model : 0.000129 Octanol/air (Koa) model: 1.22E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 109.1279 E-12 cm3/molecule-sec Half-Life = 0.098 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.176 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 9.4E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2766 Log Koc: 3.442 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 = 2.146 (BCF = 140.1) log Kow used: 3.70 (estimated) Volatilization from Water: Henry LC: 0.000198 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.415 hours Half-Life from Model Lake : 173.2 hours (7.217 days) Removal In Wastewater Treatment: Total removal: 24.93 percent Total biodegradation: 0.21 percent Total sludge adsorption: 17.52 percent Total to Air: 7.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.15 2.13 1000 Water 12.3 900 1000 Soil 86.1 1.8e+003 1000 Sediment 1.43 8.1e+003 0 Persistence Time: 950 hr
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