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S-(2-Methyl-2-propanyl) cyclopropanecarbothioate
CC(C)(C)SC(=O)C1CC1
InChI=1S/C8H14OS/c1-8(2,3)10-7(9)6-4-5-6/h6H,4-5H2,1-3H3
WGDFGIWLKSWMHW-UHFFFAOYSA-N
CSID:282308, http://www.chemspider.com/Chemical-Structure.282308.html (accessed 05:59, May 8, 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) = 2.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 205.52 (Adapted Stein & Brown method) Melting Pt (deg C): 8.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.274 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 644.1 log Kow used: 2.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2024.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.858E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.38 (KowWin est) Log Kaw used: -2.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.715 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4883 Biowin2 (Non-Linear Model) : 0.2765 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6373 (weeks-months) Biowin4 (Primary Survey Model) : 3.4660 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3621 Biowin6 (MITI Non-Linear Model): 0.2240 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0626 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): 33.5 Pa (0.251 mm Hg) Log Koa (Koawin est ): 4.715 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.96E-008 Octanol/air (Koa) model: 1.27E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.24E-006 Mackay model : 7.17E-006 Octanol/air (Koa) model: 1.02E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.7251 E-12 cm3/molecule-sec Half-Life = 6.200 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 74.403 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.2E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 64.62 Log Koc: 1.810 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 = 1.134 (BCF = 13.62) log Kow used: 2.38 (estimated) Volatilization from Water: Henry LC: 0.000113 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.802 hours Half-Life from Model Lake : 190.6 hours (7.941 days) Removal In Wastewater Treatment: Total removal: 8.07 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.59 percent Total to Air: 5.38 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.3 149 1000 Water 22.2 900 1000 Soil 72.3 1.8e+003 1000 Sediment 0.148 8.1e+003 0 Persistence Time: 690 hr
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