N'1,N'6-Bis[4-(2-methyl-2-propanyl)benzoyl]hexanedihydrazide
O=C(c1ccc(cc1)C(C)(C)C)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(cc2)C(C)(C)C CopyCopied
InChI=1S/C28H38N4O4/c1-27(2,3)21-15-11-19(12-16-21)25(35)31-29-23(33)9-7-8-10-24(34)30-32-26(36)20-13-17-22(18-14-20)28(4,5)6/h11-18H,7-10H2,1-6H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36) CopyCopied
QPNDLVNEOQZWCU-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
hexanedioic acid, bis[2-[4-(1,1-dimethylethyl)benzoyl]hydrazide]
N'1,N'6-Bis(4-tert-butylbenzoyl)hexanedihydrazide
4-(tert-butyl)-N'-(6-{2-[4-(tert-butyl)benzoyl]hydrazino}-6-oxohexanoyl)benzohydrazide
4-tert-butyl-N'-{6-[2-(4-tert-butylbenzoyl)hydrazino]-6-oxohexanoyl}benzohydrazide
N-{[4-(tert-butyl)phenyl]carbonylamino}-N'-{[4-(tert-butyl)phenyl]carbonylamino}hexane-1,6-diamide
N'1,N'6-bis[(4-tert-butylphenyl)carbonyl]hexanedihydrazide
N'1,N'6-bis(4-tert-butylbenzoyl)hexanedihydrazide
AN-329/41583715 [DBID]
ZINC08400442 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 818.06 (Adapted Stein & Brown method) Melting Pt (deg C): 349.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.04E-020 (Modified Grain method) Subcooled liquid VP: 1.04E-016 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): 0.03458 log Kow used: 5.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 216.12 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.02E-022 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.840E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.09 (KowWin est) Log Kaw used: -19.908 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 24.998 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1442 Biowin2 (Non-Linear Model) : 0.0006 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6818 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8272 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.7313 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9693 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): 1.39E-014 Pa (1.04E-016 mm Hg) Log Koa (Koawin est ): 24.998 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.16E+008 Octanol/air (Koa) model: 2.44E+012 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 = 41.5197 E-12 cm3/molecule-sec Half-Life = 0.258 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.091 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 3.29E+005 Log Koc: 5.517 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 = 3.223 (BCF = 1669) log Kow used: 5.09 (estimated) Volatilization from Water: Henry LC: 3.02E-022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.312E+018 hours (1.797E+017 days) Half-Life from Model Lake : 4.704E+019 hours (1.96E+018 days) Removal In Wastewater Treatment: Total removal: 80.36 percent Total biodegradation: 0.70 percent Total sludge adsorption: 79.67 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 1.15e-005 6.18 1000 Water 2.75 4.32e+003 1000 Soil 81 8.64e+003 1000 Sediment 16.3 3.89e+004 0 Persistence Time: 9.71e+003 hr
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