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N,N-Diisopropyl-1-decanamine
CCCCCCCCCCN(C(C)C)C(C)C
InChI=1S/C16H35N/c1-6-7-8-9-10-11-12-13-14-17(15(2)3)16(4)5/h15-16H,6-14H2,1-5H3
RDNMOYZEMHOLIF-UHFFFAOYSA-N
CSID:114353, http://www.chemspider.com/Chemical-Structure.114353.html (accessed 21:58, Apr 28, 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) = 6.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 273.31 (Adapted Stein & Brown method) Melting Pt (deg C): 22.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0077 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.173 log Kow used: 6.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2584 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.45E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.086E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.28 (KowWin est) Log Kaw used: -1.227 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.507 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5358 Biowin2 (Non-Linear Model) : 0.3102 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7091 (weeks-months) Biowin4 (Primary Survey Model) : 3.4804 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2544 Biowin6 (MITI Non-Linear Model): 0.1792 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0522 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): 1.06 Pa (0.00796 mm Hg) Log Koa (Koawin est ): 7.507 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.83E-006 Octanol/air (Koa) model: 7.89E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000102 Mackay model : 0.000226 Octanol/air (Koa) model: 0.000631 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 124.6446 E-12 cm3/molecule-sec Half-Life = 0.086 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.030 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000164 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.574E+004 Log Koc: 4.553 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 = 2.632 (BCF = 429) log Kow used: 6.28 (estimated) Volatilization from Water: Henry LC: 0.00145 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.213 hours Half-Life from Model Lake : 154.4 hours (6.435 days) Removal In Wastewater Treatment: Total removal: 93.14 percent Total biodegradation: 0.76 percent Total sludge adsorption: 91.78 percent Total to Air: 0.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0491 2.06 1000 Water 2.92 900 1000 Soil 37 1.8e+003 1000 Sediment 60.1 8.1e+003 0 Persistence Time: 2.34e+003 hr
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