Try beta.chemspider
N-Isopropyl-2-methyl-1-propanamine
CC(C)CNC(C)C
InChI=1S/C7H17N/c1-6(2)5-8-7(3)4/h6-8H,5H2,1-4H3
PHQYHKHLCPPXKT-UHFFFAOYSA-N
CSID:13571001, http://www.chemspider.com/Chemical-Structure.13571001.html (accessed 14:17, Jun 16, 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) = 2.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 112.00 (Adapted Stein & Brown method) Melting Pt (deg C): -65.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 22.3 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.595e+004 log Kow used: 2.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36924 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.86E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.120E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.14 (KowWin est) Log Kaw used: -2.552 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.692 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8465 Biowin2 (Non-Linear Model) : 0.9229 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9690 (weeks ) Biowin4 (Primary Survey Model) : 3.7248 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3524 Biowin6 (MITI Non-Linear Model): 0.3149 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3894 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): 2.79E+003 Pa (20.9 mm Hg) Log Koa (Koawin est ): 4.692 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.08E-009 Octanol/air (Koa) model: 1.21E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.89E-008 Mackay model : 8.61E-008 Octanol/air (Koa) model: 9.66E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 94.7813 E-12 cm3/molecule-sec Half-Life = 0.113 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.354 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.25E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 201 Log Koc: 2.303 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 = 0.945 (BCF = 8.803) log Kow used: 2.14 (estimated) Volatilization from Water: Henry LC: 6.86E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.26 hours Half-Life from Model Lake : 201.9 hours (8.412 days) Removal In Wastewater Treatment: Total removal: 5.80 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.24 percent Total to Air: 3.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.457 2.71 1000 Water 29.5 360 1000 Soil 69.9 720 1000 Sediment 0.123 3.24e+003 0 Persistence Time: 363 hr
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