Try beta.chemspider
N,N'-Diisopropyl-2-methyl-1,5-pentanediamine
CC(C)NCCCC(C)CNC(C)C
InChI=1S/C12H28N2/c1-10(2)13-8-6-7-12(5)9-14-11(3)4/h10-14H,6-9H2,1-5H3
JPJUNWVJXUAVAC-UHFFFAOYSA-N
CSID:143924, http://www.chemspider.com/Chemical-Structure.143924.html (accessed 12:58, 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) = 3.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 241.96 (Adapted Stein & Brown method) Melting Pt (deg C): 19.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0417 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1166 log Kow used: 3.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 30371 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.81E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.429E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.02 (KowWin est) Log Kaw used: -5.706 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.726 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9598 Biowin2 (Non-Linear Model) : 0.9155 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8053 (weeks ) Biowin4 (Primary Survey Model) : 3.6452 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2303 Biowin6 (MITI Non-Linear Model): 0.0901 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3992 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): 5.35 Pa (0.0401 mm Hg) Log Koa (Koawin est ): 8.726 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.61E-007 Octanol/air (Koa) model: 0.000131 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.03E-005 Mackay model : 4.49E-005 Octanol/air (Koa) model: 0.0103 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 190.0496 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.675 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.26E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3921 Log Koc: 3.593 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 = 1.627 (BCF = 42.34) log Kow used: 3.02 (estimated) Volatilization from Water: Henry LC: 4.81E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.723E+004 hours (718 days) Half-Life from Model Lake : 1.881E+005 hours (7837 days) Removal In Wastewater Treatment: Total removal: 5.87 percent Total biodegradation: 0.13 percent Total sludge adsorption: 5.74 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 0.119 1.35 1000 Water 24.3 360 1000 Soil 75.2 720 1000 Sediment 0.421 3.24e+003 0 Persistence Time: 486 hr
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