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4-Heptanamine
CCCC(CCC)N
InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
CLJMMQGDJNYDER-UHFFFAOYSA-N
CSID:35428, http://www.chemspider.com/Chemical-Structure.35428.html (accessed 11:20, May 11, 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) = 2.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 143.78 (Adapted Stein & Brown method) Melting Pt (deg C): -32.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.5 (Mean VP of Antoine & Grain methods) BP (exp database): 139.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.313e+004 log Kow used: 2.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9061.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.15E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.505E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.23 (KowWin est) Log Kaw used: -2.770 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.000 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) : 0.5505 Biowin6 (MITI Non-Linear Model): 0.6392 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7923 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 797 Pa (5.98 mm Hg) Log Koa (Koawin est ): 5.000 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.76E-009 Octanol/air (Koa) model: 2.45E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.36E-007 Mackay model : 3.01E-007 Octanol/air (Koa) model: 1.96E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.7540 E-12 cm3/molecule-sec Half-Life = 0.199 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.388 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.18E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 334.3 Log Koc: 2.524 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 = 1.021 (BCF = 10.49) log Kow used: 2.23 (estimated) Volatilization from Water: Henry LC: 4.15E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 16.24 hours Half-Life from Model Lake : 267.2 hours (11.13 days) Removal In Wastewater Treatment: Total removal: 4.66 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.38 percent Total to Air: 2.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.662 4.78 1000 Water 28.6 360 1000 Soil 70.6 720 1000 Sediment 0.133 3.24e+003 0 Persistence Time: 393 hr
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