Try beta.chemspider
N,N'-(2,2-Dimethyl-1,3-propanediyl)dicyclohexanecarboxamide
CC(C)(CNC(=O)C1CCCCC1)CNC(=O)C2CCCCC2
InChI=1S/C19H34N2O2/c1-19(2,13-20-17(22)15-9-5-3-6-10-15)14-21-18(23)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3,(H,20,22)(H,21,23)
DDZHAXFXPSPQAC-UHFFFAOYSA-N
CSID:1380621, http://www.chemspider.com/Chemical-Structure.1380621.html (accessed 01:44, Jul 4, 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) = 4.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 514.02 (Adapted Stein & Brown method) Melting Pt (deg C): 219.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.02E-010 (Modified Grain method) Subcooled liquid VP: 1.21E-008 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): 2.498 log Kow used: 4.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 766.62 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.33E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.733E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.17 (KowWin est) Log Kaw used: -8.265 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.435 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8304 Biowin2 (Non-Linear Model) : 0.8898 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1660 (months ) Biowin4 (Primary Survey Model) : 3.6399 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3954 Biowin6 (MITI Non-Linear Model): 0.1667 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8623 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): 1.61E-006 Pa (1.21E-008 mm Hg) Log Koa (Koawin est ): 12.435 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.86 Octanol/air (Koa) model: 0.668 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.985 Mackay model : 0.993 Octanol/air (Koa) model: 0.982 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.5573 E-12 cm3/molecule-sec Half-Life = 0.207 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.489 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.989 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.889E+004 Log Koc: 4.590 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 = 2.509 (BCF = 322.9) log Kow used: 4.17 (estimated) Volatilization from Water: Henry LC: 1.33E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.905E+006 hours (3.294E+005 days) Half-Life from Model Lake : 8.624E+007 hours (3.593E+006 days) Removal In Wastewater Treatment: Total removal: 38.38 percent Total biodegradation: 0.39 percent Total sludge adsorption: 37.99 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 0.0392 4.98 1000 Water 9.69 1.44e+003 1000 Soil 85.9 2.88e+003 1000 Sediment 4.39 1.3e+004 0 Persistence Time: 2.43e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight