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N-(1-Octylcyclohexyl)acrylamide
CCCCCCCCC1(CCCCC1)NC(=O)C=C
InChI=1S/C17H31NO/c1-3-5-6-7-8-10-13-17(18-16(19)4-2)14-11-9-12-15-17/h4H,2-3,5-15H2,1H3,(H,18,19)
KOQPFVARPMYRNC-UHFFFAOYSA-N
CSID:3059032, http://www.chemspider.com/Chemical-Structure.3059032.html (accessed 14:54, 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) = 5.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 394.02 (Adapted Stein & Brown method) Melting Pt (deg C): 143.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.35E-007 (Modified Grain method) Subcooled liquid VP: 1.16E-005 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): 0.2079 log Kow used: 5.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5755 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.27E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.235E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.82 (KowWin est) Log Kaw used: -5.032 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.852 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7558 Biowin2 (Non-Linear Model) : 0.8861 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6446 (weeks-months) Biowin4 (Primary Survey Model) : 3.7858 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5802 Biowin6 (MITI Non-Linear Model): 0.6086 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1020 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): 0.00155 Pa (1.16E-005 mm Hg) Log Koa (Koawin est ): 10.852 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00194 Octanol/air (Koa) model: 0.0175 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0655 Mackay model : 0.134 Octanol/air (Koa) model: 0.583 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.5646 E-12 cm3/molecule-sec Half-Life = 0.339 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.066 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7832 Log Koc: 3.894 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 = 2.781 (BCF = 603.8) log Kow used: 5.82 (estimated) Volatilization from Water: Henry LC: 2.27E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4204 hours (175.2 days) Half-Life from Model Lake : 4.6E+004 hours (1917 days) Removal In Wastewater Treatment: Total removal: 91.21 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.45 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.125 7.73 1000 Water 4.85 900 1000 Soil 40.5 1.8e+003 1000 Sediment 54.5 8.1e+003 0 Persistence Time: 2.36e+003 hr
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