This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 83883-10-7
SMILES : CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O
CHEM :
MOL FOR: C16 H25 N1 O2
MOL WT : 263.38
------------------------------ 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) = 3.25
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 421.23 (Adapted Stein & Brown method)
Melting Pt (deg C): 156.55 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.98E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 2.64E-007 (Modified Grain method)
Subcooled liquid VP: 4.38E-008 mm Hg (25 deg C, Mod-Grain method)
: 5.84E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 33.25
log Kow used: 3.25 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1244.8 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Acrylamides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.56E-012 atm-m3/mole (7.66E-007 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: 2.064E-011 atm-m3/mole (2.091E-006 Pa-m3/mole)
VP: 1.98E-009 mm Hg (source: MPBPVP)
WS: 33.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.25 (KowWin est)
Log Kaw used: -9.510 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.760
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7568
Biowin2 (Non-Linear Model) : 0.8890
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6491 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7888 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3218
Biowin6 (MITI Non-Linear Model): 0.0981
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.1327
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): 5.84E-006 Pa (4.38E-008 mm Hg)
Log Koa (Koawin est ): 12.760
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.514
Octanol/air (Koa) model: 1.41
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.949
Mackay model : 0.976
Octanol/air (Koa) model: 0.991
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 212.0390 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 221.1590 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 0.605 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 0.580 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 6.402500 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 7.539999 E-17 cm3/molecule-sec [Trans-]
Half-Life = 4.296 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 3.648 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.963 (Junge-Pankow, Mackay avg)
0.991 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 512.2 L/kg (MCI method)
Log Koc: 2.709 (MCI method)
Koc : 193.1 L/kg (Kow method)
Log Koc: 2.286 (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 = 1.813 (BCF = 64.98 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4738 days (HL = 0.3359 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.904 (BCF = 80.19)
Log BAF Arnot-Gobas method (upper trophic) = 1.904 (BAF = 80.19)
log Kow used: 3.25 (estimated)
Volatilization from Water:
Henry LC: 7.56E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.257E+008 hours (5.237E+006 days)
Half-Life from Model Lake : 1.371E+009 hours (5.713E+007 days)
Removal In Wastewater Treatment:
Total removal: 8.47 percent
Total biodegradation: 0.15 percent
Total sludge adsorption: 8.33 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 0.00132 0.944 1000
Water 12.7 900 1000
Soil 86.9 1.8e+003 1000
Sediment 0.36 8.1e+003 0
Persistence Time: 1.76e+003 hr