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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-Cyanododecane
211-097-6 [EINECS/ELINCS]
Dodecyl cyanide
tridecanenitrile
Tridecanonitril
(C10-C16) Alkylnitrile
270-318-4 [EINECS/ELINCS]
629-60-7 [RN]
68424-73-7 [RN]
Nitriles, C10-16
n-Tridecanonitrile
TL8004331
AI3-16570
NSC 3886
NSC3886
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 292.85 (Adapted Stein & Brown method) Melting Pt (deg C): 42.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00283 (Modified Grain method) MP (exp database): 9.7 deg C BP (exp database): 293 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.8138 log Kow used: 5.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3119 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.90E-004 atm-m3/mole Group Method: 1.20E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.939E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.26 (KowWin est) Log Kaw used: -1.550 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.810 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0700 Biowin2 (Non-Linear Model) : 0.9988 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9834 (weeks ) Biowin4 (Primary Survey Model) : 3.7698 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7466 Biowin6 (MITI Non-Linear Model): 0.8658 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7247 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.377 Pa (0.00283 mm Hg) Log Koa (Koawin est ): 6.810 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.95E-006 Octanol/air (Koa) model: 1.58E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000287 Mackay model : 0.000636 Octanol/air (Koa) model: 0.000127 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.9766 E-12 cm3/molecule-sec Half-Life = 0.824 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.891 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000461 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3781 Log Koc: 3.578 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 = 2.348 (BCF = 222.6) log Kow used: 5.26 (estimated) Volatilization from Water: Henry LC: 0.0012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.108 hours Half-Life from Model Lake : 140.2 hours (5.841 days) Removal In Wastewater Treatment: Total removal: 85.86 percent Total biodegradation: 0.67 percent Total sludge adsorption: 80.69 percent Total to Air: 4.51 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.84 19.8 1000 Water 11.7 360 1000 Soil 63.4 720 1000 Sediment 23.1 3.24e+003 0 Persistence Time: 545 hr