https://www.chemspider.com
Cyclohexyl acetate
CC(=O)OC1CCCCC1
InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
YYLLIJHXUHJATK-UHFFFAOYSA-N
CSID:11647, http://www.chemspider.com/Chemical-Structure.11647.html (accessed 08:25, Nov 28, 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) = 2.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 179.41 (Adapted Stein & Brown method) Melting Pt (deg C): -26.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.35 (Mean VP of Antoine & Grain methods) MP (exp database): -65 deg C BP (exp database): 173 deg C VP (exp database): 1.08E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 453.8 log Kow used: 2.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2977.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.19E-004 atm-m3/mole Group Method: 1.20E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.566E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.64 (KowWin est) Log Kaw used: -1.885 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.525 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8540 Biowin2 (Non-Linear Model) : 0.9938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0251 (weeks ) Biowin4 (Primary Survey Model) : 3.8715 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7443 Biowin6 (MITI Non-Linear Model): 0.8743 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3677 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): 1.44E+003 Pa (10.8 mm Hg) Log Koa (Koawin est ): 4.525 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.08E-009 Octanol/air (Koa) model: 8.22E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.52E-008 Mackay model : 1.67E-007 Octanol/air (Koa) model: 6.58E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.8034 E-12 cm3/molecule-sec Half-Life = 0.906 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.874 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.21E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 72.5 Log Koc: 1.860 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec Kb Half-Life at pH 8: 266.184 days Kb Half-Life at pH 7: 7.288 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.335 (BCF = 21.62) log Kow used: 2.64 (estimated) Volatilization from Water: Henry LC: 0.00012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7.035 hours Half-Life from Model Lake : 176.7 hours (7.364 days) Removal In Wastewater Treatment: Total removal: 9.05 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.33 percent Total to Air: 5.62 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.64 21.7 1000 Water 23.5 360 1000 Soil 73.6 720 1000 Sediment 0.207 3.24e+003 0 Persistence Time: 400 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight