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3,7-Dimethyl-N-(2-methyl-2-propanyl)-1-octanamine
CC(C)CCCC(C)CCNC(C)(C)C
InChI=1S/C14H31N/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h12-13,15H,7-11H2,1-6H3
VPIHVFYAYCJFPS-UHFFFAOYSA-N
CSID:2073159, http://www.chemspider.com/Chemical-Structure.2073159.html (accessed 04:53, Apr 27, 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) = 5.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 237.17 (Adapted Stein & Brown method) Melting Pt (deg C): 12.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0537 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.215 log Kow used: 5.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 29.31 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.98E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.836E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.46 (KowWin est) Log Kaw used: -1.691 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.151 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6158 Biowin2 (Non-Linear Model) : 0.3464 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5399 (weeks-months) Biowin4 (Primary Survey Model) : 3.4297 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3264 Biowin6 (MITI Non-Linear Model): 0.1890 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0000 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): 6.84 Pa (0.0513 mm Hg) Log Koa (Koawin est ): 7.151 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.39E-007 Octanol/air (Koa) model: 3.48E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.58E-005 Mackay model : 3.51E-005 Octanol/air (Koa) model: 0.000278 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.6611 E-12 cm3/molecule-sec Half-Life = 0.125 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.498 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.55E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9914 Log Koc: 3.996 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 = 3.506 (BCF = 3207) log Kow used: 5.46 (estimated) Volatilization from Water: Henry LC: 0.000498 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.208 hours Half-Life from Model Lake : 157.5 hours (6.562 days) Removal In Wastewater Treatment: Total removal: 88.13 percent Total biodegradation: 0.72 percent Total sludge adsorption: 86.00 percent Total to Air: 1.41 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.129 3 1000 Water 5.96 900 1000 Soil 58.6 1.8e+003 1000 Sediment 35.3 8.1e+003 0 Persistence Time: 1.47e+003 hr
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