Try beta.chemspider
2-Hydroxy-7-methoxy-5-methyl-1-naphthoic acid
OC(=O)c1c2cc(cc(C)c2ccc1O)OC
InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
LYGUXQMPYLCEGL-UHFFFAOYSA-N
CSID:9119532, http://www.chemspider.com/Chemical-Structure.9119532.html (accessed 10:34, Jul 3, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 409.92 (Adapted Stein & Brown method) Melting Pt (deg C): 170.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3E-008 (Modified Grain method) Subcooled liquid VP: 9.59E-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): 39.22 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.194 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols-acid Salicylic Acid-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.05E-011 atm-m3/mole Group Method: 3.38E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.337E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -8.432 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.482 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1162 Biowin2 (Non-Linear Model) : 0.9972 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6972 (weeks-months) Biowin4 (Primary Survey Model) : 3.5687 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7324 Biowin6 (MITI Non-Linear Model): 0.7077 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5273 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): 0.000128 Pa (9.59E-007 mm Hg) Log Koa (Koawin est ): 12.482 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0235 Octanol/air (Koa) model: 0.745 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.459 Mackay model : 0.652 Octanol/air (Koa) model: 0.983 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 131.7425 E-12 cm3/molecule-sec Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.974 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.556 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 319.6 Log Koc: 2.505 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 = 0.500 (BCF = 3.162) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 9.05E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.859E+006 hours (4.108E+005 days) Half-Life from Model Lake : 1.076E+008 hours (4.481E+006 days) Removal In Wastewater Treatment: Total removal: 32.40 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.06 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 0.00134 1.95 1000 Water 11 900 1000 Soil 86.1 1.8e+003 1000 Sediment 2.91 8.1e+003 0 Persistence Time: 1.87e+003 hr
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