4'-Heptyl-4-biphenylcarboxylic acid
CCCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)O
InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
XVROSBHWACAQRL-UHFFFAOYSA-N
CSID:2343003, http://www.chemspider.com/Chemical-Structure.2343003.html (accessed 08:36, Mar 28, 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) = 7.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 448.39 (Adapted Stein & Brown method) Melting Pt (deg C): 174.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.52E-008 (Modified Grain method) Subcooled liquid VP: 5.39E-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): 0.01045 log Kow used: 7.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0024423 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.03E-008 atm-m3/mole Group Method: 3.38E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.673E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.13 (KowWin est) Log Kaw used: -5.687 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.817 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9464 Biowin2 (Non-Linear Model) : 0.9745 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8555 (weeks ) Biowin4 (Primary Survey Model) : 3.6284 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4648 Biowin6 (MITI Non-Linear Model): 0.3582 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0509 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): 7.19E-005 Pa (5.39E-007 mm Hg) Log Koa (Koawin est ): 12.817 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0417 Octanol/air (Koa) model: 1.61 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.601 Mackay model : 0.77 Octanol/air (Koa) model: 0.992 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.0182 E-12 cm3/molecule-sec Half-Life = 0.763 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.156 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.685 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.656E+004 Log Koc: 4.563 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 = 1.000 (BCF = 10) log Kow used: 7.13 (estimated) Volatilization from Water: Henry LC: 3.38E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.982E+004 hours (1243 days) Half-Life from Model Lake : 3.255E+005 hours (1.356E+004 days) Removal In Wastewater Treatment: Total removal: 93.89 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.12 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 0.255 18.3 1000 Water 3.69 360 1000 Soil 35.5 720 1000 Sediment 60.5 3.24e+003 0 Persistence Time: 1.4e+003 hr
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