1-(Pentyloxy)pentane
CCCCCOCCCCC
InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
AOPDRZXCEAKHHW-UHFFFAOYSA-N
CSID:12220, http://www.chemspider.com/Chemical-Structure.12220.html (accessed 11:00, Apr 19, 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) = 4.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 186.40 (Adapted Stein & Brown method) Melting Pt (deg C): -26.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.83 (Mean VP of Antoine & Grain methods) MP (exp database): -69 deg C BP (exp database): 190 deg C VP (exp database): 8.57E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 26.96 log Kow used: 4.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 60.892 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.32E-003 atm-m3/mole Group Method: 7.22E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.412E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.00 (KowWin est) Log Kaw used: -0.468 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.468 Log Koa (experimental database): 4.800 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5417 Biowin2 (Non-Linear Model) : 0.7348 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4374 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1478 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6389 Biowin6 (MITI Non-Linear Model): 0.7898 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0078 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): 114 Pa (0.857 mm Hg) Log Koa (Exp database): 4.800 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.63E-008 Octanol/air (Koa) model: 1.55E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.48E-007 Mackay model : 2.1E-006 Octanol/air (Koa) model: 1.24E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.5156 E-12 cm3/molecule-sec Half-Life = 0.389 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.665 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.52E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 173 Log Koc: 2.238 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 = 2.377 (BCF = 238.1) log Kow used: 4.00 (estimated) Volatilization from Water: Henry LC: 0.00722 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.386 hours Half-Life from Model Lake : 120.6 hours (5.026 days) Removal In Wastewater Treatment: Total removal: 78.67 percent Total biodegradation: 0.14 percent Total sludge adsorption: 20.94 percent Total to Air: 57.59 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.21 7.73 1000 Water 21.6 208 1000 Soil 74.4 416 1000 Sediment 1.77 1.87e+003 0 Persistence Time: 228 hr
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