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N-Methyl-N-(2-propyn-1-yl)-2-indanamine
C#CCN(C)C1Cc2ccccc2C1
InChI=1S/C13H15N/c1-3-8-14(2)13-9-11-6-4-5-7-12(11)10-13/h1,4-7,13H,8-10H2,2H3
MMAXYGJNDKHJET-UHFFFAOYSA-N
Date of deprecation: 11:53, May 7, 2024 Reason for deprecation: Deprecate record:
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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) = 2.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 272.96 (Adapted Stein & Brown method) Melting Pt (deg C): 63.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00353 (Modified Grain method) Subcooled liquid VP: 0.0081 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): 5057 log Kow used: 2.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 277.74 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Propargyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.16E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.702E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.36 (KowWin est) Log Kaw used: -4.769 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.129 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5634 Biowin2 (Non-Linear Model) : 0.3338 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3852 (weeks-months) Biowin4 (Primary Survey Model) : 3.1554 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0599 Biowin6 (MITI Non-Linear Model): 0.0426 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8782 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): 1.08 Pa (0.0081 mm Hg) Log Koa (Koawin est ): 7.129 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.78E-006 Octanol/air (Koa) model: 3.3E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0001 Mackay model : 0.000222 Octanol/air (Koa) model: 0.000264 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 107.7936 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.191 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.000161 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7435 Log Koc: 3.871 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 = 1.121 (BCF = 13.2) log Kow used: 2.36 (estimated) Volatilization from Water: Henry LC: 4.16E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1917 hours (79.88 days) Half-Life from Model Lake : 2.103E+004 hours (876.2 days) Removal In Wastewater Treatment: Total removal: 2.78 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.65 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.124 2.38 1000 Water 24.9 900 1000 Soil 74.8 1.8e+003 1000 Sediment 0.16 8.1e+003 0 Persistence Time: 907 hr
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