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CAS Number: 70974-48-0
SMILES : CCCCCCCCCCCCCCCC(=O)N1CCCC1
CHEM :
MOL FOR: C20 H39 N1 O1
MOL WT : 309.54
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 7.26
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 396.54 (Adapted Stein & Brown method)
Melting Pt (deg C): 136.93 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.53E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0001 (Modified Grain method)
Subcooled liquid VP: 1.01E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00134 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.006809
log Kow used: 7.26 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.019895 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.21E-006 atm-m3/mole (2.24E-001 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.504E-005 atm-m3/mole (4.564E+000 Pa-m3/mole)
VP: 7.53E-007 mm Hg (source: MPBPVP)
WS: 0.00681 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.26 (KowWin est)
Log Kaw used: -4.044 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.304
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9188
Biowin2 (Non-Linear Model) : 0.9588
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7593 (weeks )
Biowin4 (Primary Survey Model) : 3.8756 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6890
Biowin6 (MITI Non-Linear Model): 0.8106
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2453
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): 0.00135 Pa (1.01E-005 mm Hg)
Log Koa (Koawin est ): 11.304
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00223
Octanol/air (Koa) model: 0.0494
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0745
Mackay model : 0.151
Octanol/air (Koa) model: 0.798
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 45.0394 E-12 cm3/molecule-sec
Half-Life = 0.237 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.850 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.113 (Junge-Pankow, Mackay avg)
0.798 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.293E+004 L/kg (MCI method)
Log Koc: 4.799 (MCI method)
Koc : 7.825E+004 L/kg (Kow method)
Log Koc: 4.893 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.400 (BCF = 2512 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3082 days (HL = 2.033 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.242 (BCF = 174.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.803 (BAF = 635.8)
log Kow used: 7.26 (estimated)
Volatilization from Water:
Henry LC: 2.21E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 467.9 hours (19.5 days)
Half-Life from Model Lake : 5252 hours (218.8 days)
Removal In Wastewater Treatment:
Total removal: 93.93 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.15 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 0.438 5.7 1000
Water 18.9 360 1000
Soil 63.1 720 1000
Sediment 17.6 3.24e+003 0
Persistence Time: 563 hr