Try beta.chemspider
1,3-Dimethyl-2,4-diphenyl-1,2-dihydroquinoline
CC1=C(c2ccccc2N(C1c3ccccc3)C)c4ccccc4
InChI=1S/C23H21N/c1-17-22(18-11-5-3-6-12-18)20-15-9-10-16-21(20)24(2)23(17)19-13-7-4-8-14-19/h3-16,23H,1-2H3
JVYJXCLUEXQSBM-UHFFFAOYSA-N
CSID:3518846, http://www.chemspider.com/Chemical-Structure.3518846.html (accessed 03:18, 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) = 5.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 428.95 (Adapted Stein & Brown method) Melting Pt (deg C): 165.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.83E-008 (Modified Grain method) Subcooled liquid VP: 1.63E-006 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): 0.1358 log Kow used: 5.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.067701 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.30E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.759E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.72 (KowWin est) Log Kaw used: -5.275 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.995 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6502 Biowin2 (Non-Linear Model) : 0.4904 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3002 (weeks-months) Biowin4 (Primary Survey Model) : 3.1202 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1931 Biowin6 (MITI Non-Linear Model): 0.0049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2645 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): 0.000217 Pa (1.63E-006 mm Hg) Log Koa (Koawin est ): 10.995 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0138 Octanol/air (Koa) model: 0.0243 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.333 Mackay model : 0.525 Octanol/air (Koa) model: 0.66 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 273.6863 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.138 Min Ozone Reaction: OVERALL Ozone Rate Constant = 1064.699951 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.550 Min Fraction sorbed to airborne particulates (phi): 0.429 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.191E+005 Log Koc: 5.857 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 = 3.708 (BCF = 5108) log Kow used: 5.72 (estimated) Volatilization from Water: Henry LC: 1.3E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7950 hours (331.2 days) Half-Life from Model Lake : 8.687E+004 hours (3620 days) Removal In Wastewater Treatment: Total removal: 90.50 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.74 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 0.000567 0.0251 1000 Water 5.64 900 1000 Soil 40.7 1.8e+003 1000 Sediment 53.7 8.1e+003 0 Persistence Time: 2.13e+003 hr
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