Cyclopentanol
C1CCC(C1)O
InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
XCIXKGXIYUWCLL-UHFFFAOYSA-N
CSID:7026, http://www.chemspider.com/Chemical-Structure.7026.html (accessed 21:27, Apr 18, 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) = 1.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 137.63 (Adapted Stein & Brown method) Melting Pt (deg C): -44.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.31 (Mean VP of Antoine & Grain methods) MP (exp database): -19 deg C BP (exp database): 140.4 deg C VP (exp database): 2.49E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.318e+004 log Kow used: 1.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 85857 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.69E-006 atm-m3/mole Group Method: 2.62E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.063E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.15 (KowWin est) Log Kaw used: -3.821 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.971 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8653 Biowin2 (Non-Linear Model) : 0.9480 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1688 (weeks ) Biowin4 (Primary Survey Model) : 3.8529 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7084 Biowin6 (MITI Non-Linear Model): 0.8653 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5282 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): 332 Pa (2.49 mm Hg) Log Koa (Koawin est ): 4.971 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.04E-009 Octanol/air (Koa) model: 2.3E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.26E-007 Mackay model : 7.23E-007 Octanol/air (Koa) model: 1.84E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.3319 E-12 cm3/molecule-sec Half-Life = 1.035 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.423 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.25E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.395 Log Koc: 0.643 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 = 0.183 (BCF = 1.523) log Kow used: 1.15 (estimated) Volatilization from Water: Henry LC: 2.62E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 208.3 hours (8.681 days) Half-Life from Model Lake : 2351 hours (97.94 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 percent Total to Air: 0.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.45 24 1000 Water 41.8 360 1000 Soil 55.6 720 1000 Sediment 0.0868 3.24e+003 0 Persistence Time: 369 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight