Try beta.chemspider
Cyclohexyl 3-biphenylylcarbamate
c1ccc(cc1)c2cccc(c2)NC(=O)OC3CCCCC3
InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
HHVUFQYJOSFTEH-UHFFFAOYSA-N
CSID:9154538, http://www.chemspider.com/Chemical-Structure.9154538.html (accessed 10:15, May 13, 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) = 5.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 418.99 (Adapted Stein & Brown method) Melting Pt (deg C): 153.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.4E-007 (Modified Grain method) Subcooled liquid VP: 2.86E-006 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): 0.1498 log Kow used: 5.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.12254 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.05E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.632E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.79 (KowWin est) Log Kaw used: -6.904 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.694 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8146 Biowin2 (Non-Linear Model) : 0.8352 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5217 (weeks-months) Biowin4 (Primary Survey Model) : 3.6201 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0251 Biowin6 (MITI Non-Linear Model): 0.0308 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3652 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): 0.000381 Pa (2.86E-006 mm Hg) Log Koa (Koawin est ): 12.694 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00787 Octanol/air (Koa) model: 1.21 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.221 Mackay model : 0.386 Octanol/air (Koa) model: 0.99 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 98.6479 E-12 cm3/molecule-sec Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.301 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.304 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.709E+004 Log Koc: 4.569 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.074E-005 L/mol-sec Kb Half-Life at pH 8: 2044.523 years Kb Half-Life at pH 7: 2.045E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.755 (BCF = 5683) log Kow used: 5.79 (estimated) Volatilization from Water: Henry LC: 3.05E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.299E+005 hours (1.375E+004 days) Half-Life from Model Lake : 3.599E+006 hours (1.5E+005 days) Removal In Wastewater Treatment: Total removal: 91.01 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.25 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 0.0133 2.6 1000 Water 4.33 900 1000 Soil 49.3 1.8e+003 1000 Sediment 46.3 8.1e+003 0 Persistence Time: 2.84e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight