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Bis(2-methylcyclohexyl) 1,6-hexanediylbiscarbamate
CC1CCCCC1OC(=O)NCCCCCCNC(=O)OC2CCCCC2C
InChI=1S/C22H40N2O4/c1-17-11-5-7-13-19(17)27-21(25)23-15-9-3-4-10-16-24-22(26)28-20-14-8-6-12-18(20)2/h17-20H,3-16H2,1-2H3,(H,23,25)(H,24,26)
GSDPJKQTOQPSIY-UHFFFAOYSA-N
CSID:3370683, http://www.chemspider.com/Chemical-Structure.3370683.html (accessed 23:59, May 9, 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) = 6.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 440.19 (Adapted Stein & Brown method) Melting Pt (deg C): 137.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.4E-008 (Modified Grain method) Subcooled liquid VP: 8.6E-007 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): 0.004047 log Kow used: 6.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.21466 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.90E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.252E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.91 (KowWin est) Log Kaw used: -6.797 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.707 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7178 Biowin2 (Non-Linear Model) : 0.3535 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2294 (months ) Biowin4 (Primary Survey Model) : 3.6628 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0497 Biowin6 (MITI Non-Linear Model): 0.0164 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0306 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): 0.000115 Pa (8.6E-007 mm Hg) Log Koa (Koawin est ): 13.707 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0262 Octanol/air (Koa) model: 12.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.486 Mackay model : 0.677 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 73.9697 E-12 cm3/molecule-sec Half-Life = 0.145 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.735 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.581 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.424E+005 Log Koc: 5.534 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.624E-007 L/mol-sec Kb Half-Life at pH 8: 6.061E+004 years Kb Half-Life at pH 7: 6.061E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.620 (BCF = 4.167e+004) log Kow used: 6.91 (estimated) Volatilization from Water: Henry LC: 3.9E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.99E+005 hours (1.246E+004 days) Half-Life from Model Lake : 3.262E+006 hours (1.359E+005 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.02 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 0.0116 3.47 1000 Water 1.42 1.44e+003 1000 Soil 39.1 2.88e+003 1000 Sediment 59.5 1.3e+004 0 Persistence Time: 5.46e+003 hr
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