Try beta.chemspider
3-[(2-Furylmethyl)disulfanyl]-2-methylfuran
Cc1c(cco1)SSCc2ccco2
InChI=1S/C10H10O2S2/c1-8-10(4-6-11-8)14-13-7-9-3-2-5-12-9/h2-6H,7H2,1H3
FVCZDGBJCOHRKY-UHFFFAOYSA-N
CSID:459073, http://www.chemspider.com/Chemical-Structure.459073.html (accessed 11:37, 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) = 4.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.94 (Adapted Stein & Brown method) Melting Pt (deg C): 88.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000183 (Modified Grain method) Subcooled liquid VP: 0.000749 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): 10.35 log Kow used: 4.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.398 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.15E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.265E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.08 (KowWin est) Log Kaw used: -3.056 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.136 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6945 Biowin2 (Non-Linear Model) : 0.5920 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6242 (weeks-months) Biowin4 (Primary Survey Model) : 3.4527 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0657 Biowin6 (MITI Non-Linear Model): 0.0383 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0202 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): 0.0999 Pa (0.000749 mm Hg) Log Koa (Koawin est ): 7.136 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3E-005 Octanol/air (Koa) model: 3.36E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00108 Mackay model : 0.0024 Octanol/air (Koa) model: 0.000269 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 432.4212 E-12 cm3/molecule-sec Half-Life = 0.025 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.809 Min Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00174 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.867E+004 Log Koc: 4.271 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 = 2.445 (BCF = 278.7) log Kow used: 4.08 (estimated) Volatilization from Water: Henry LC: 2.15E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 42.5 hours (1.771 days) Half-Life from Model Lake : 589.8 hours (24.57 days) Removal In Wastewater Treatment: Total removal: 34.47 percent Total biodegradation: 0.35 percent Total sludge adsorption: 33.35 percent Total to Air: 0.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0291 0.594 1000 Water 15.6 900 1000 Soil 79.9 1.8e+003 1000 Sediment 4.44 8.1e+003 0 Persistence Time: 1.07e+003 hr
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