1,3,5-Trimethyl-1H-pyrazole-4-carbohydrazide
Cc1c(c(n(n1)C)C)C(=O)NN
InChI=1S/C7H12N4O/c1-4-6(7(12)9-8)5(2)11(3)10-4/h8H2,1-3H3,(H,9,12)
BQCCNZILZPMIHS-UHFFFAOYSA-N
CSID:1214447, http://www.chemspider.com/Chemical-Structure.1214447.html (accessed 04:58, Apr 20, 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) = 0.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 356.04 (Adapted Stein & Brown method) Melting Pt (deg C): 145.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.72E-006 (Modified Grain method) Subcooled liquid VP: 9.49E-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): 2612 log Kow used: 0.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.65E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.847E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.08 (KowWin est) Log Kaw used: -11.171 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.251 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7768 Biowin2 (Non-Linear Model) : 0.8550 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6778 (weeks-months) Biowin4 (Primary Survey Model) : 3.4680 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0779 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0130 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): 0.0127 Pa (9.49E-005 mm Hg) Log Koa (Koawin est ): 11.251 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000237 Octanol/air (Koa) model: 0.0438 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00849 Mackay model : 0.0186 Octanol/air (Koa) model: 0.778 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.9080 E-12 cm3/molecule-sec Half-Life = 0.255 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.063 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0136 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 26.46 Log Koc: 1.423 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 = 0.500 (BCF = 3.162) log Kow used: 0.08 (estimated) Volatilization from Water: Henry LC: 1.65E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.602E+009 hours (1.917E+008 days) Half-Life from Model Lake : 5.02E+010 hours (2.092E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 2.31e-006 6.12 1000 Water 45.6 900 1000 Soil 54.3 1.8e+003 1000 Sediment 0.0886 8.1e+003 0 Persistence Time: 983 hr
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