1,8-Naphthalenediyldimethanol
c1cc2cccc(c2c(c1)CO)CO
InChI=1S/C12H12O2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6,13-14H,7-8H2
DINZUYYYXDLSJE-UHFFFAOYSA-N
CSID:67411, http://www.chemspider.com/Chemical-Structure.67411.html (accessed 13:19, Mar 29, 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) = 1.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 367.50 (Adapted Stein & Brown method) Melting Pt (deg C): 119.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.61E-008 (Modified Grain method) Subcooled liquid VP: 7.5E-007 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): 1637 log Kow used: 1.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3001.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.56E-010 atm-m3/mole Group Method: 2.81E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.303E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.74 (KowWin est) Log Kaw used: -7.456 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.196 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9754 Biowin2 (Non-Linear Model) : 0.9290 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1032 (weeks ) Biowin4 (Primary Survey Model) : 3.8351 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4124 Biowin6 (MITI Non-Linear Model): 0.3945 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5144 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): 0.0001 Pa (7.5E-007 mm Hg) Log Koa (Koawin est ): 9.196 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.03 Octanol/air (Koa) model: 0.000385 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.52 Mackay model : 0.706 Octanol/air (Koa) model: 0.0299 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 72.2084 E-12 cm3/molecule-sec Half-Life = 0.148 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.778 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.613 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 17.16 Log Koc: 1.234 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 = -0.010 (BCF = 0.9775) log Kow used: 1.74 (estimated) Volatilization from Water: Henry LC: 8.56E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.384E+005 hours (3.91E+004 days) Half-Life from Model Lake : 1.024E+007 hours (4.265E+005 days) Removal In Wastewater Treatment: Total removal: 2.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.97 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 0.0342 3.55 1000 Water 26.7 360 1000 Soil 73.2 720 1000 Sediment 0.0741 3.24e+003 0 Persistence Time: 643 hr
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