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: 000143-18-0
SMILES : KOC(=O)CCCCCCCC=CCCCCCCCC
CHEM : 9-Octadecenoic acid (Z)-, potassium salt
MOL FOR: C18 H33 O2 K1
MOL WT : 320.56
------------------------------ 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) = 3.92
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 581.58 (Adapted Stein & Brown method)
Melting Pt (deg C): 250.71 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.8E-013 (Modified Grain method)
VP (Pa, 25 deg C) : 1.04E-010 (Modified Grain method)
Subcooled liquid VP: 2.22E-010 mm Hg (25 deg C, Mod-Grain method)
: 2.97E-008 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.187
log Kow used: 3.92 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0057827 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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: 7.858E-014 atm-m3/mole (7.962E-009 Pa-m3/mole)
VP: 7.8E-013 mm Hg (source: MPBPVP)
WS: 4.19 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7942
Biowin2 (Non-Linear Model) : 0.8152
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2379 (weeks )
Biowin4 (Primary Survey Model) : 4.0948 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7576
Biowin6 (MITI Non-Linear Model): 0.8313
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8424
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): 2.96E-008 Pa (2.22E-010 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 101
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 74.5004 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 82.1004 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.723 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.563 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.17E+004 L/kg (MCI method)
Log Koc: 4.068 (MCI method)
Koc : 210.9 L/kg (Kow method)
Log Koc: 2.324 (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 = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8045 days (HL = 6.376 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.401 (BCF = 251.5)
Log BAF Arnot-Gobas method (upper trophic) = 3.978 (BAF = 9495)
log Kow used: 7.64 (expkow database)
Volatilization from Water:
Henry LC: 7.86E-014 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 1.334E+010 hours (5.559E+008 days)
Half-Life from Model Lake : 1.455E+011 hours (6.064E+009 days)
Removal In Wastewater Treatment:
Total removal: 26.55 percent
Total biodegradation: 0.29 percent
Total sludge adsorption: 26.26 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 0.00819 1.31 1000
Water 15.4 360 1000
Soil 79.3 720 1000
Sediment 5.33 3.24e+003 0
Persistence Time: 788 hr