Try beta.chemspider
2,4-Dichloro-N'-{3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}benzohydrazide
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)NNC(=O)c2ccc(cc2Cl)Cl
InChI=1S/C24H30Cl2N2O3/c1-23(2,3)17-11-14(12-18(21(17)30)24(4,5)6)7-10-20(29)27-28-22(31)16-9-8-15(25)13-19(16)26/h8-9,11-13,30H,7,10H2,1-6H3,(H,27,29)(H,28,31)
GYLHGFDQYDRKLT-UHFFFAOYSA-N
CSID:2363649, http://www.chemspider.com/Chemical-Structure.2363649.html (accessed 12:58, May 9, 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) = 5.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 651.40 (Adapted Stein & Brown method) Melting Pt (deg C): 283.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.74E-016 (Modified Grain method) Subcooled liquid VP: 1.98E-013 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): 0.08099 log Kow used: 5.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.6521 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.94E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.072E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.56 (KowWin est) Log Kaw used: -13.101 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.661 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0363 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3147 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5098 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.7964 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6066 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): 2.64E-011 Pa (1.98E-013 mm Hg) Log Koa (Koawin est ): 18.661 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.14E+005 Octanol/air (Koa) model: 1.12E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.7172 E-12 cm3/molecule-sec Half-Life = 0.317 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.807 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.448E+006 Log Koc: 6.161 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 = 3.130 (BCF = 1350) log Kow used: 5.56 (estimated) Volatilization from Water: Henry LC: 1.94E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.511E+011 hours (2.713E+010 days) Half-Life from Model Lake : 7.103E+012 hours (2.959E+011 days) Removal In Wastewater Treatment: Total removal: 88.99 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.24 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 0.0126 7.61 1000 Water 2.07 4.32e+003 1000 Soil 65.9 8.64e+003 1000 Sediment 32 3.89e+004 0 Persistence Time: 9.82e+003 hr
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