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2-Ethyl-N-(2-ethylpentyl)-1-pentanamine
CCCC(CC)CNCC(CC)CCC
InChI=1S/C14H31N/c1-5-9-13(7-3)11-15-12-14(8-4)10-6-2/h13-15H,5-12H2,1-4H3
CSKZDALFOFNIIJ-UHFFFAOYSA-N
CSID:13946917, http://www.chemspider.com/Chemical-Structure.13946917.html (accessed 01:35, 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) = 5.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 254.85 (Adapted Stein & Brown method) Melting Pt (deg C): 16.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.021 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.603 log Kow used: 5.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.908 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: 1.20E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.931E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.57 (KowWin est) Log Kaw used: -1.691 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.261 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7998 Biowin2 (Non-Linear Model) : 0.7480 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7520 (weeks ) Biowin4 (Primary Survey Model) : 3.5831 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4062 Biowin6 (MITI Non-Linear Model): 0.3531 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5713 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): 2.76 Pa (0.0207 mm Hg) Log Koa (Koawin est ): 7.261 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.09E-006 Octanol/air (Koa) model: 4.48E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.93E-005 Mackay model : 8.69E-005 Octanol/air (Koa) model: 0.000358 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 99.6787 E-12 cm3/molecule-sec Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.288 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.31E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.757E+004 Log Koc: 4.245 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 = 3.592 (BCF = 3905) log Kow used: 5.57 (estimated) Volatilization from Water: Henry LC: 0.0012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.203 hours Half-Life from Model Lake : 146.5 hours (6.105 days) Removal In Wastewater Treatment: Total removal: 89.69 percent Total biodegradation: 0.72 percent Total sludge adsorption: 86.57 percent Total to Air: 2.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.248 2.58 1000 Water 9.73 360 1000 Soil 54.8 720 1000 Sediment 35.2 3.24e+003 0 Persistence Time: 630 hr
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