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- Double-bond stereo
(2E)-2-[(4E)-2,2,5,9-Tetramethyl-4,8-decadien-1-ylidene]hydrazinecarboxamide
CC(=CCC/C(=C/CC(C)(C)/C=N/NC(=O)N)/C)C
InChI=1S/C15H27N3O/c1-12(2)7-6-8-13(3)9-10-15(4,5)11-17-18-14(16)19/h7,9,11H,6,8,10H2,1-5H3,(H3,16,18,19)/b13-9+,17-11+
NMESIURDCJZCLY-KYHBMPLESA-N
CSID:5268000, http://www.chemspider.com/Chemical-Structure.5268000.html (accessed 22:24, May 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.26 (Adapted Stein & Brown method) Melting Pt (deg C): 133.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.8E-006 (Modified Grain method) Subcooled liquid VP: 2.23E-005 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): 0.5942 log Kow used: 5.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 24.585 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.19E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.058E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.29 (KowWin est) Log Kaw used: -5.766 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.056 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4373 Biowin2 (Non-Linear Model) : 0.0770 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4005 (weeks-months) Biowin4 (Primary Survey Model) : 3.3114 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1022 Biowin6 (MITI Non-Linear Model): 0.0325 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1309 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): 0.00297 Pa (2.23E-005 mm Hg) Log Koa (Koawin est ): 11.056 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00101 Octanol/air (Koa) model: 0.0279 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0352 Mackay model : 0.0747 Octanol/air (Koa) model: 0.691 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 182.3752 E-12 cm3/molecule-sec Half-Life = 0.059 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.704 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 19.189 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0549 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.195E+004 Log Koc: 4.341 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 = 3.370 (BCF = 2343) log Kow used: 5.29 (estimated) Volatilization from Water: Henry LC: 4.19E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.277E+004 hours (948.6 days) Half-Life from Model Lake : 2.485E+005 hours (1.035E+004 days) Removal In Wastewater Treatment: Total removal: 84.99 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.26 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 0.00732 0.261 1000 Water 9.04 900 1000 Soil 52.8 1.8e+003 1000 Sediment 38.1 8.1e+003 0 Persistence Time: 1.67e+003 hr
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