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: 70051-97-7
SMILES : CCCCCCCCCCCCCCNC(CC(=O)O)C(=O)O
CHEM :
MOL FOR: C18 H35 N1 O4
MOL WT : 329.48
------------------------------ 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) = 2.53
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 501.12 (Adapted Stein & Brown method)
Melting Pt (deg C): 307.11 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.78E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 2.37E-009 (Modified Grain method)
Subcooled liquid VP: 2.57E-008 mm Hg (25 deg C, Mod-Grain method)
: 3.43E-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): 0.486
log Kow used: 2.53 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.11147 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.69E-013 atm-m3/mole (9.82E-008 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: 1.588E-011 atm-m3/mole (1.609E-006 Pa-m3/mole)
VP: 1.78E-011 mm Hg (source: MPBPVP)
WS: 0.486 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.53 (KowWin est)
Log Kaw used: -10.402 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.932
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9983
Biowin2 (Non-Linear Model) : 0.9289
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.5230 (days-weeks )
Biowin4 (Primary Survey Model) : 4.4559 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7691
Biowin6 (MITI Non-Linear Model): 0.7173
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1876
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): 3.43E-006 Pa (2.57E-008 mm Hg)
Log Koa (Koawin est ): 12.932
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.875
Octanol/air (Koa) model: 2.1
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.969
Mackay model : 0.986
Octanol/air (Koa) model: 0.994
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 109.0890 E-12 cm3/molecule-sec
Half-Life = 0.098 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.177 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.978 (Junge-Pankow, Mackay avg)
0.994 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.102E+004 L/kg (MCI method)
Log Koc: 4.323 (MCI method)
Koc : 32.48 L/kg (Kow method)
Log Koc: 1.512 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.0112 days (HL = 0.9746 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.522 (BCF = 33.27)
Log BAF Arnot-Gobas method (upper trophic) = 1.522 (BAF = 33.27)
log Kow used: 2.53 (estimated)
Volatilization from Water:
Henry LC: 9.69E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.097E+009 hours (4.57E+007 days)
Half-Life from Model Lake : 1.196E+010 hours (4.985E+008 days)
Removal In Wastewater Treatment:
Total removal: 3.18 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 3.08 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 0.00221 2.35 1000
Water 16.7 208 1000
Soil 77 416 1000
Sediment 6.33 1.87e+003 0
Persistence Time: 491 hr