Try beta.chemspider
4,4-Dimethylcyclohexanamine
CC1(CCC(CC1)N)C
InChI=1S/C8H17N/c1-8(2)5-3-7(9)4-6-8/h7H,3-6,9H2,1-2H3
CAUXQOLTFGCRKD-UHFFFAOYSA-N
CSID:372721, http://www.chemspider.com/Chemical-Structure.372721.html (accessed 06:14, Jun 1, 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) = 2.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 170.55 (Adapted Stein & Brown method) Melting Pt (deg C): 1.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.52 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7006 log Kow used: 2.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17687 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.43E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.632E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.50 (KowWin est) Log Kaw used: -3.003 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.503 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6569 Biowin2 (Non-Linear Model) : 0.6431 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7303 (weeks-months) Biowin4 (Primary Survey Model) : 3.5540 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5267 Biowin6 (MITI Non-Linear Model): 0.4558 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0794 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): 184 Pa (1.38 mm Hg) Log Koa (Koawin est ): 5.503 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.63E-008 Octanol/air (Koa) model: 7.82E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.89E-007 Mackay model : 1.3E-006 Octanol/air (Koa) model: 6.25E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.2825 E-12 cm3/molecule-sec Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.365 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.47E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 95.96 Log Koc: 1.982 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 = 1.227 (BCF = 16.85) log Kow used: 2.50 (estimated) Volatilization from Water: Henry LC: 2.43E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 28.33 hours (1.18 days) Half-Life from Model Lake : 403.6 hours (16.82 days) Removal In Wastewater Treatment: Total removal: 4.37 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.97 percent Total to Air: 1.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.3 4.73 1000 Water 22.3 900 1000 Soil 77.2 1.8e+003 1000 Sediment 0.183 8.1e+003 0 Persistence Time: 861 hr
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