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- Double-bond stereo
N,N'-Bis[(E)-1,2-diphenylvinyl]carbodiimide
C(=N/C(=C/c1ccccc1)c2ccccc2)=N\C(c3ccccc3)=C\c4ccccc4
InChI=1S/C29H22N2/c1-5-13-24(14-6-1)21-28(26-17-9-3-10-18-26)30-23-31-29(27-19-11-4-12-20-27)22-25-15-7-2-8-16-25/h1-22H/b28-21+,29-22+
NKKWLTGMFJJMPG-XXGIQBRXSA-N
CSID:9179051, http://www.chemspider.com/Chemical-Structure.9179051.html (accessed 10:32, Jul 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
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 9.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 528.73 (Adapted Stein & Brown method) Melting Pt (deg C): 206.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.14E-011 (Modified Grain method) Subcooled liquid VP: 5.11E-009 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): 1.364e-005 log Kow used: 9.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.9008e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.94E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.360E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.79 (KowWin est) Log Kaw used: -6.793 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.583 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0702 Biowin2 (Non-Linear Model) : 0.9895 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4066 (weeks-months) Biowin4 (Primary Survey Model) : 3.2923 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2967 Biowin6 (MITI Non-Linear Model): 0.0015 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3468 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): 6.81E-007 Pa (5.11E-009 mm Hg) Log Koa (Koawin est ): 16.583 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.4 Octanol/air (Koa) model: 9.4E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.6126 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.150 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 50.399998 E-17 cm3/molecule-sec Half-Life = 0.023 Days (at 7E11 mol/cm3) Half-Life = 32.743 Min Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.343E+008 Log Koc: 8.802 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 = 0.988 (BCF = 9.73) log Kow used: 9.79 (estimated) Volatilization from Water: Henry LC: 3.94E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.966E+005 hours (1.236E+004 days) Half-Life from Model Lake : 3.236E+006 hours (1.348E+005 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.00663 0.441 1000 Water 1.9 900 1000 Soil 28.3 1.8e+003 1000 Sediment 69.8 8.1e+003 0 Persistence Time: 3.12e+003 hr
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