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6-Methyl-N,N,N',N'-tetrapropyl-2,4-pyrimidinediamine
CCCN(CCC)c1cc(C)nc(n1)N(CCC)CCC
InChI=1S/C17H32N4/c1-6-10-20(11-7-2)16-14-15(5)18-17(19-16)21(12-8-3)13-9-4/h14H,6-13H2,1-5H3
UYWAMAFILRUUGZ-UHFFFAOYSA-N
CSID:10541738, http://www.chemspider.com/Chemical-Structure.10541738.html (accessed 00:08, Jul 6, 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) = 5.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 370.77 (Adapted Stein & Brown method) Melting Pt (deg C): 135.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.24E-006 (Modified Grain method) Subcooled liquid VP: 4.22E-005 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.2121 log Kow used: 5.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.1814 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.79E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.879E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.63 (KowWin est) Log Kaw used: -2.943 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.573 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2525 Biowin2 (Non-Linear Model) : 0.0066 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9684 (months ) Biowin4 (Primary Survey Model) : 2.7812 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1190 Biowin6 (MITI Non-Linear Model): 0.0252 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8912 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): 0.00563 Pa (4.22E-005 mm Hg) Log Koa (Koawin est ): 8.573 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000533 Octanol/air (Koa) model: 9.18E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0189 Mackay model : 0.0409 Octanol/air (Koa) model: 0.00729 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 248.1365 E-12 cm3/molecule-sec Half-Life = 0.043 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.517 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0299 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6084 Log Koc: 3.784 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 = 2.634 (BCF = 430.2) log Kow used: 5.63 (estimated) Volatilization from Water: Henry LC: 2.79E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 37.63 hours (1.568 days) Half-Life from Model Lake : 553.9 hours (23.08 days) Removal In Wastewater Treatment: Total removal: 89.73 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.91 percent Total to Air: 0.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0177 1.03 1000 Water 4.5 1.44e+003 1000 Soil 46.4 2.88e+003 1000 Sediment 49.1 1.3e+004 0 Persistence Time: 2.99e+003 hr
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