Try beta.chemspider
- Double-bond stereo
(1Z,1'Z)-1,1'-(3,3,6,6-Tetramethyl-4,5-thiepanediylidene)dihydrazine
CC1(/C(=N/N)/C(=N\N)/C(CSC1)(C)C)C
InChI=1S/C10H20N4S/c1-9(2)5-15-6-10(3,4)8(14-12)7(9)13-11/h5-6,11-12H2,1-4H3/b13-7+,14-8+
IYJYMSFBCJIDPX-FNCQTZNRSA-N
CSID:5264259, http://www.chemspider.com/Chemical-Structure.5264259.html (accessed 00:59, May 10, 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) = 2.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 331.45 (Adapted Stein & Brown method) Melting Pt (deg C): 121.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.98E-005 (Modified Grain method) Subcooled liquid VP: 0.000362 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): 171.4 log Kow used: 2.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17181 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.25E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.977E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.64 (KowWin est) Log Kaw used: -8.668 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.308 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2710 Biowin2 (Non-Linear Model) : 0.0246 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2703 (weeks-months) Biowin4 (Primary Survey Model) : 3.2114 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2091 Biowin6 (MITI Non-Linear Model): 0.0619 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3907 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): 0.0483 Pa (0.000362 mm Hg) Log Koa (Koawin est ): 11.308 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.22E-005 Octanol/air (Koa) model: 0.0499 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00224 Mackay model : 0.00495 Octanol/air (Koa) model: 0.8 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.2907 E-12 cm3/molecule-sec Half-Life = 0.527 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.326 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00359 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.841E+004 Log Koc: 4.265 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 = 1.336 (BCF = 21.67) log Kow used: 2.64 (estimated) Volatilization from Water: Henry LC: 5.25E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.685E+007 hours (7.022E+005 days) Half-Life from Model Lake : 1.838E+008 hours (7.66E+006 days) Removal In Wastewater Treatment: Total removal: 3.56 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.46 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 0.000423 12.7 1000 Water 14.8 900 1000 Soil 85 1.8e+003 1000 Sediment 0.158 8.1e+003 0 Persistence Time: 1.69e+003 hr
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