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Butoxybenzene
CCCCOc1ccccc1
InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
YFNONBGXNFCTMM-UHFFFAOYSA-N
CSID:13673, http://www.chemspider.com/Chemical-Structure.13673.html (accessed 14:51, 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) = 3.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 211.39 (Adapted Stein & Brown method) Melting Pt (deg C): -6.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.218 (Mean VP of Antoine & Grain methods) MP (exp database): -19.4 deg C BP (exp database): 210 deg C VP (exp database): 2.96E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 70.76 log Kow used: 3.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 29.67 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.46E-004 atm-m3/mole Group Method: 1.17E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.090E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.55 (KowWin est) Log Kaw used: -1.516 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.066 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0445 Biowin2 (Non-Linear Model) : 0.9988 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1294 (weeks ) Biowin4 (Primary Survey Model) : 3.9821 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6502 Biowin6 (MITI Non-Linear Model): 0.8054 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4358 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): 39.5 Pa (0.296 mm Hg) Log Koa (Koawin est ): 5.066 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.6E-008 Octanol/air (Koa) model: 2.86E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.75E-006 Mackay model : 6.08E-006 Octanol/air (Koa) model: 2.29E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.8488 E-12 cm3/molecule-sec Half-Life = 0.316 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.792 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.41E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 739 Log Koc: 2.869 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 = 2.031 (BCF = 107.5) log Kow used: 3.55 (estimated) Volatilization from Water: Henry LC: 0.0117 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.312 hours Half-Life from Model Lake : 117.1 hours (4.878 days) Removal In Wastewater Treatment: Total removal: 83.29 percent Total biodegradation: 0.07 percent Total sludge adsorption: 8.82 percent Total to Air: 74.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.11 7.58 1000 Water 28.8 360 1000 Soil 66.6 720 1000 Sediment 1.42 3.24e+003 0 Persistence Time: 216 hr
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