Try beta.chemspider
1-(2-Methylphenyl)methanamine
Cc1ccccc1CN
InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
CJAAPVQEZPAQNI-UHFFFAOYSA-N
CSID:6727, http://www.chemspider.com/Chemical-Structure.6727.html (accessed 10:29, Apr 23, 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) = 1.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 203.81 (Adapted Stein & Brown method) Melting Pt (deg C): 17.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.267 (Mean VP of Antoine & Grain methods) MP (exp database): -30 deg C BP (exp database): 206 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.214e+004 log Kow used: 1.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10390 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.75E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.010E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.62 (KowWin est) Log Kaw used: -4.559 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.179 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8984 Biowin2 (Non-Linear Model) : 0.9514 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8810 (weeks ) Biowin4 (Primary Survey Model) : 3.6476 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4035 Biowin6 (MITI Non-Linear Model): 0.3557 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2525 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): 32.7 Pa (0.245 mm Hg) Log Koa (Koawin est ): 6.179 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.18E-008 Octanol/air (Koa) model: 3.71E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.32E-006 Mackay model : 7.35E-006 Octanol/air (Koa) model: 2.97E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 36.0237 E-12 cm3/molecule-sec Half-Life = 0.297 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.563 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.33E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 643.2 Log Koc: 2.808 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 = 0.545 (BCF = 3.506) log Kow used: 1.62 (estimated) Volatilization from Water: Henry LC: 6.75E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 956 hours (39.83 days) Half-Life from Model Lake : 1.052E+004 hours (438.4 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.92 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.793 7.13 1000 Water 36.4 360 1000 Soil 62.7 720 1000 Sediment 0.0927 3.24e+003 0 Persistence Time: 397 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight