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1-(1-Phenylcyclopentyl)methanamine
c1ccc(cc1)C2(CCCC2)CN
InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
SJWOFBVBNFLWLP-UHFFFAOYSA-N
CSID:177716, http://www.chemspider.com/Chemical-Structure.177716.html (accessed 13:37, May 21, 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) = 3.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 272.71 (Adapted Stein & Brown method) Melting Pt (deg C): 62.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00367 (Modified Grain method) Subcooled liquid VP: 0.00821 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): 1388 log Kow used: 3.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 633.23 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.11E-006 atm-m3/mole Group Method: 5.48E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.098E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.08 (KowWin est) Log Kaw used: -4.343 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.423 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7621 Biowin2 (Non-Linear Model) : 0.8463 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months) Biowin4 (Primary Survey Model) : 3.4896 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4610 Biowin6 (MITI Non-Linear Model): 0.3909 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0339 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): 1.09 Pa (0.00821 mm Hg) Log Koa (Koawin est ): 7.423 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.74E-006 Octanol/air (Koa) model: 6.5E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.9E-005 Mackay model : 0.000219 Octanol/air (Koa) model: 0.00052 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.5972 E-12 cm3/molecule-sec Half-Life = 0.270 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.241 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000159 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7725 Log Koc: 3.888 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 = 1.671 (BCF = 46.84) log Kow used: 3.08 (estimated) Volatilization from Water: Henry LC: 5.48E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.415E+004 hours (589.4 days) Half-Life from Model Lake : 1.544E+005 hours (6435 days) Removal In Wastewater Treatment: Total removal: 6.43 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.30 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 0.165 6.48 1000 Water 16.6 900 1000 Soil 82.8 1.8e+003 1000 Sediment 0.451 8.1e+003 0 Persistence Time: 1.24e+003 hr
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