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 Num: 002444-46-4
SMILES : O=C(NCc(ccc(O)c1OC)c1)CCCCCCCC
CHEM : Nonanamide, N- (4-hydroxy-3-methoxyphenyl)methyl -
MOL FOR: C17 H27 N1 O3
MOL WT : 293.41
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.79
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 457.26 (Adapted Stein & Brown method)
Melting Pt (deg C): 192.63 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.03E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 1.2E-007 (Modified Grain method)
Subcooled liquid VP: 5.19E-008 mm Hg (25 deg C, Mod-Grain method)
: 6.93E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7.716
log Kow used: 3.79 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 79.322 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Phenols
Amides
Phenol Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.87E-014 atm-m3/mole (8.99E-009 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: 4.518E-011 atm-m3/mole (4.578E-006 Pa-m3/mole)
VP: 9.03E-010 mm Hg (source: MPBPVP)
WS: 7.72 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.79 (KowWin est)
Log Kaw used: -11.441 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.231
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1742
Biowin2 (Non-Linear Model) : 0.9985
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7932 (weeks )
Biowin4 (Primary Survey Model) : 4.0157 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5410
Biowin6 (MITI Non-Linear Model): 0.5084
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0616
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): 6.92E-006 Pa (5.19E-008 mm Hg)
Log Koa (Koawin est ): 15.231
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.434
Octanol/air (Koa) model: 418
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.94
Mackay model : 0.972
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 59.3951 E-12 cm3/molecule-sec
Half-Life = 0.180 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.161 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.956 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7662 L/kg (MCI method)
Log Koc: 3.884 (MCI method)
Koc : 1654 L/kg (Kow method)
Log Koc: 3.219 (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 v3.00):
Log BCF from regression-based method = 2.170 (BCF = 148 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5322 days (HL = 0.02936 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.114 (BCF = 13.02)
Log BAF Arnot-Gobas method (upper trophic) = 1.114 (BAF = 13.02)
log Kow used: 3.79 (estimated)
Volatilization from Water:
Henry LC: 8.87E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.131E+010 hours (4.711E+008 days)
Half-Life from Model Lake : 1.233E+011 hours (5.139E+009 days)
Removal In Wastewater Treatment:
Total removal: 21.47 percent
Total biodegradation: 0.25 percent
Total sludge adsorption: 21.22 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 3.43e-005 4.32 1000
Water 15.3 360 1000
Soil 81.2 720 1000
Sediment 3.52 3.24e+003 0
Persistence Time: 809 hr