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: 645337-39-9
SMILES : CCCCCCCCCCCCCC(=O)N(C)CCC(=O)OCC(CCCCCC)CCCCCCCC
CHEM :
MOL FOR: C34 H67 N1 O3
MOL WT : 537.92
------------------------------ 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) = 12.73
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 571.77 (Adapted Stein & Brown method)
Melting Pt (deg C): 244.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.67E-012 (Modified Grain method)
VP (Pa, 25 deg C) : 2.23E-010 (Modified Grain method)
Subcooled liquid VP: 4E-010 mm Hg (25 deg C, Mod-Grain method)
: 5.33E-008 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5.455e-009
log Kow used: 12.73 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.3792e-007 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.58E-007 atm-m3/mole (3.63E-002 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: 2.167E-004 atm-m3/mole (2.196E+001 Pa-m3/mole)
VP: 1.67E-012 mm Hg (source: MPBPVP)
WS: 5.45E-009 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 12.73 (KowWin est)
Log Kaw used: -4.835 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.565
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2011
Biowin2 (Non-Linear Model) : 0.9995
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9915 (weeks )
Biowin4 (Primary Survey Model) : 4.3133 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8674
Biowin6 (MITI Non-Linear Model): 0.8702
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2955
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): 5.33E-008 Pa (4E-010 mm Hg)
Log Koa (Koawin est ): 17.565
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 56.2
Octanol/air (Koa) model: 9.02E+004
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 62.2103 E-12 cm3/molecule-sec
Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.063 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.288E+007 L/kg (MCI method)
Log Koc: 7.517 (MCI method)
Koc : 7.137E+007 L/kg (Kow method)
Log Koc: 7.853 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.173E-002 L/mol-sec
Kb Half-Life at pH 8: 252.803 days
Kb Half-Life at pH 7: 6.921 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.315 (BCF = 20.65 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.1858 days (HL = 15.34 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8985)
Log BAF Arnot-Gobas method (upper trophic) = 0.405 (BAF = 2.539)
log Kow used: 12.73 (estimated)
Volatilization from Water:
Henry LC: 3.58E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3795 hours (158.1 days)
Half-Life from Model Lake : 4.16E+004 hours (1733 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.315 4.13 1000
Water 22.7 360 1000
Soil 76.9 720 1000
Sediment 0.0822 3.24e+003 0
Persistence Time: 509 hr