7-Isopropyl-1-methylphenanthrene
Cc1cccc2c1ccc3c2ccc(c3)C(C)C
InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3
NXLOLUFNDSBYTP-UHFFFAOYSA-N
CSID:9805, http://www.chemspider.com/Chemical-Structure.9805.html (accessed 09:13, Apr 20, 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) = 6.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 367.71 (Adapted Stein & Brown method) Melting Pt (deg C): 117.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.64E-006 (Modified Grain method) MP (exp database): 101 deg C BP (exp database): 390 deg C Subcooled liquid VP: 1.45E-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): 0.00848 log Kow used: 6.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.015853 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-004 atm-m3/mole Group Method: 6.29E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.599E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.35 (KowWin est) Log Kaw used: -2.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.697 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7453 Biowin2 (Non-Linear Model) : 0.6975 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5316 (weeks-months) Biowin4 (Primary Survey Model) : 3.3726 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1132 Biowin6 (MITI Non-Linear Model): 0.0648 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5396 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7483 BioHC Half-Life (days) : 56.0186 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00193 Pa (1.45E-005 mm Hg) Log Koa (Koawin est ): 8.697 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00155 Octanol/air (Koa) model: 0.000122 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0531 Mackay model : 0.11 Octanol/air (Koa) model: 0.00968 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.7052 E-12 cm3/molecule-sec Half-Life = 0.256 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.078 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0818 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.701E+005 Log Koc: 5.231 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 = 4.188 (BCF = 1.542e+004) log Kow used: 6.35 (estimated) Volatilization from Water: Henry LC: 6.29E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 15.81 hours Half-Life from Model Lake : 300.8 hours (12.54 days) Removal In Wastewater Treatment: Total removal: 93.19 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.39 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.105 6.16 1000 Water 2.92 900 1000 Soil 32.7 1.8e+003 1000 Sediment 64.2 8.1e+003 0 Persistence Time: 2.67e+003 hr
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