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4-(4-Phenyl-3-hexanyl)phenol
CCC(c1ccccc1)C(CC)c2ccc(cc2)O
InChI=1S/C18H22O/c1-3-17(14-8-6-5-7-9-14)18(4-2)15-10-12-16(19)13-11-15/h5-13,17-19H,3-4H2,1-2H3
DCPFFPJQACSWPX-UHFFFAOYSA-N
CSID:200310, http://www.chemspider.com/Chemical-Structure.200310.html (accessed 15:03, May 6, 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) = 6.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.12 (Adapted Stein & Brown method) Melting Pt (deg C): 116.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.28E-006 (Modified Grain method) Subcooled liquid VP: 1.82E-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): 0.55 log Kow used: 6.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.78746 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.06E-007 atm-m3/mole Group Method: 8.68E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.388E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.08 (KowWin est) Log Kaw used: -5.075 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.155 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9797 Biowin2 (Non-Linear Model) : 0.9630 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5657 (weeks-months) Biowin4 (Primary Survey Model) : 3.3883 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1737 Biowin6 (MITI Non-Linear Model): 0.1388 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0062 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): 0.00243 Pa (1.82E-005 mm Hg) Log Koa (Koawin est ): 11.155 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00124 Octanol/air (Koa) model: 0.0351 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0427 Mackay model : 0.09 Octanol/air (Koa) model: 0.737 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.3733 E-12 cm3/molecule-sec Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.405 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0664 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.514E+005 Log Koc: 5.546 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 = 3.979 (BCF = 9524) log Kow used: 6.08 (estimated) Volatilization from Water: Henry LC: 8.68E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.076E+004 hours (448.3 days) Half-Life from Model Lake : 1.175E+005 hours (4896 days) Removal In Wastewater Treatment: Total removal: 92.47 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.70 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 0.0675 4.81 1000 Water 3.62 900 1000 Soil 37 1.8e+003 1000 Sediment 59.3 8.1e+003 0 Persistence Time: 2.68e+003 hr
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