Try beta.chemspider
N,N-Dimethyl-2-[(2-methyl-2-propanyl)sulfanyl]ethanamine
CC(C)(C)SCCN(C)C
InChI=1S/C8H19NS/c1-8(2,3)10-7-6-9(4)5/h6-7H2,1-5H3
GGNMUZPXZVTCHJ-UHFFFAOYSA-N
CSID:19860623, http://www.chemspider.com/Chemical-Structure.19860623.html (accessed 22:16, Jun 3, 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) = 1.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 182.28 (Adapted Stein & Brown method) Melting Pt (deg C): -15.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.864 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.405e+004 log Kow used: 1.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11593 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.21E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.305E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.98 (KowWin est) Log Kaw used: -4.306 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.286 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2816 Biowin2 (Non-Linear Model) : 0.0381 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3758 (weeks-months) Biowin4 (Primary Survey Model) : 3.1736 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3159 Biowin6 (MITI Non-Linear Model): 0.1658 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9189 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): 105 Pa (0.785 mm Hg) Log Koa (Koawin est ): 6.286 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.87E-008 Octanol/air (Koa) model: 4.74E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.04E-006 Mackay model : 2.29E-006 Octanol/air (Koa) model: 3.79E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 90.3763 E-12 cm3/molecule-sec Half-Life = 0.118 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.420 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.66E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 397.4 Log Koc: 2.599 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 = 0.823 (BCF = 6.66) log Kow used: 1.98 (estimated) Volatilization from Water: Henry LC: 1.21E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 615.8 hours (25.66 days) Half-Life from Model Lake : 6825 hours (284.4 days) Removal In Wastewater Treatment: Total removal: 2.29 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.13 percent Total to Air: 0.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.178 2.84 1000 Water 31.6 900 1000 Soil 68.1 1.8e+003 1000 Sediment 0.119 8.1e+003 0 Persistence Time: 785 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight