Try beta.chemspider
7-Isopropyl-6-methoxy-1,2-dimethylphenanthrene
Cc1ccc2c(c1C)ccc3c2cc(c(c3)C(C)C)OC
InChI=1S/C20H22O/c1-12(2)18-10-15-7-9-16-14(4)13(3)6-8-17(16)19(15)11-20(18)21-5/h6-12H,1-5H3
QSZDTCGHFRXGFB-UHFFFAOYSA-N
CSID:411017, http://www.chemspider.com/Chemical-Structure.411017.html (accessed 15:37, Apr 24, 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) = 6.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 402.96 (Adapted Stein & Brown method) Melting Pt (deg C): 142.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.61E-007 (Modified Grain method) Subcooled liquid VP: 7.04E-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): 0.0014 log Kow used: 6.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0026434 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.19E-006 atm-m3/mole Group Method: 5.48E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.206E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.98 (KowWin est) Log Kaw used: -3.532 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.512 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9109 Biowin2 (Non-Linear Model) : 0.9541 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3013 (weeks-months) Biowin4 (Primary Survey Model) : 3.3176 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2028 Biowin6 (MITI Non-Linear Model): 0.0736 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6221 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): 0.000939 Pa (7.04E-006 mm Hg) Log Koa (Koawin est ): 10.512 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0032 Octanol/air (Koa) model: 0.00798 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.103 Mackay model : 0.204 Octanol/air (Koa) model: 0.39 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 203.3762 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.631 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.154 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.043E+005 Log Koc: 5.310 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 = 4.672 (BCF = 4.698e+004) log Kow used: 6.98 (estimated) Volatilization from Water: Henry LC: 5.48E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 19.53 hours Half-Life from Model Lake : 353 hours (14.71 days) Removal In Wastewater Treatment: Total removal: 93.84 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.05 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0201 1.26 1000 Water 2.16 900 1000 Soil 29.2 1.8e+003 1000 Sediment 68.6 8.1e+003 0 Persistence Time: 2.98e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight