1,1,6-Trimethyl-1,2-dihydronaphthalene
Cc1ccc2c(c1)C=CCC2(C)C
InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3
RTUMCNDCAVLXEP-UHFFFAOYSA-N
CSID:108567, http://www.chemspider.com/Chemical-Structure.108567.html (accessed 02:44, Apr 19, 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) = 5.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 245.28 (Adapted Stein & Brown method) Melting Pt (deg C): 41.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.024 (Modified Grain method) Subcooled liquid VP: 0.0339 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): 2.348 log Kow used: 5.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8062 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.10E-003 atm-m3/mole Group Method: 6.29E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.317E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.16 (KowWin est) Log Kaw used: -0.776 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.936 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5363 Biowin2 (Non-Linear Model) : 0.3581 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5315 (weeks-months) Biowin4 (Primary Survey Model) : 3.3772 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3663 Biowin6 (MITI Non-Linear Model): 0.2595 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5824 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8791 BioHC Half-Life (days) : 75.6925 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.52 Pa (0.0339 mm Hg) Log Koa (Koawin est ): 5.936 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.64E-007 Octanol/air (Koa) model: 2.12E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.4E-005 Mackay model : 5.31E-005 Octanol/air (Koa) model: 1.69E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.7605 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.013 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 3.85E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7309 Log Koc: 3.864 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 = 3.274 (BCF = 1879) log Kow used: 5.16 (estimated) Volatilization from Water: Henry LC: 0.000629 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.561 hours Half-Life from Model Lake : 138 hours (5.75 days) Removal In Wastewater Treatment: Total removal: 83.31 percent Total biodegradation: 0.67 percent Total sludge adsorption: 79.45 percent Total to Air: 3.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0739 1.34 1000 Water 7.19 900 1000 Soil 69.6 1.8e+003 1000 Sediment 23.1 8.1e+003 0 Persistence Time: 1.24e+003 hr
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