Try beta.chemspider
2-(1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazinecarboxamide
CC1(C2CCC1(C(=NNC(=O)N)C2)C)C
InChI=1S/C11H19N3O/c1-10(2)7-4-5-11(10,3)8(6-7)13-14-9(12)15/h7H,4-6H2,1-3H3,(H3,12,14,15)
QCEFOIDJHJPYIB-UHFFFAOYSA-N
CSID:338976, http://www.chemspider.com/Chemical-Structure.338976.html (accessed 22:40, Jun 5, 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) = 3.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.54 (Adapted Stein & Brown method) Melting Pt (deg C): 117.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.9E-005 (Modified Grain method) Subcooled liquid VP: 0.000323 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): 36.12 log Kow used: 3.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 238.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.43E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.973E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.55 (KowWin est) Log Kaw used: -7.003 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.553 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2800 Biowin2 (Non-Linear Model) : 0.0320 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3124 (weeks-months) Biowin4 (Primary Survey Model) : 3.2389 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2976 Biowin6 (MITI Non-Linear Model): 0.1111 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3917 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): 0.0431 Pa (0.000323 mm Hg) Log Koa (Koawin est ): 10.553 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.97E-005 Octanol/air (Koa) model: 0.00877 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00251 Mackay model : 0.00554 Octanol/air (Koa) model: 0.412 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.6936 E-12 cm3/molecule-sec Half-Life = 1.598 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.175 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00403 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2279 Log Koc: 3.358 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 = 2.037 (BCF = 108.8) log Kow used: 3.55 (estimated) Volatilization from Water: Henry LC: 2.43E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.486E+005 hours (1.452E+004 days) Half-Life from Model Lake : 3.803E+006 hours (1.584E+005 days) Removal In Wastewater Treatment: Total removal: 14.22 percent Total biodegradation: 0.19 percent Total sludge adsorption: 14.03 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 0.0177 38.4 1000 Water 11.6 900 1000 Soil 87.4 1.8e+003 1000 Sediment 0.949 8.1e+003 0 Persistence Time: 1.82e+003 hr
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