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: 2958-09-0
SMILES : O=P(OCCCCCCCCCCCCCCCCCC)(O)O
CHEM : Phosphoric acid, monooctadecyl ester
MOL FOR: C18 H39 O4 P1
MOL WT : 350.48
------------------------------ 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) = 7.63
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 477.54 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.03 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.28E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 9.71E-009 (Modified Grain method)
Subcooled liquid VP: 3.08E-010 mm Hg (25 deg C, Mod-Grain method)
: 4.11E-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): 0.001858
log Kow used: 7.63 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0092992 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.00E-010 atm-m3/mole (3.04E-005 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: 1.807E-008 atm-m3/mole (1.831E-003 Pa-m3/mole)
VP: 7.28E-011 mm Hg (source: MPBPVP)
WS: 0.00186 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.63 (KowWin est)
Log Kaw used: -7.911 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.541
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6891
Biowin2 (Non-Linear Model) : 0.4689
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7230 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6111 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5099
Biowin6 (MITI Non-Linear Model): 0.4325
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8806
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): 4.11E-008 Pa (3.08E-010 mm Hg)
Log Koa (Koawin est ): 15.541
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 73.1
Octanol/air (Koa) model: 853
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 = 46.3426 E-12 cm3/molecule-sec
Half-Life = 0.231 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.770 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 : 7.443E+004 L/kg (MCI method)
Log Koc: 4.872 (MCI method)
Koc : 1.773E+005 L/kg (Kow method)
Log Koc: 5.249 (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 = 3.216 (BCF = 1646 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6011 days (HL = 3.991 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.210 (BCF = 162.2)
Log BAF Arnot-Gobas method (upper trophic) = 3.431 (BAF = 2700)
log Kow used: 7.63 (estimated)
Volatilization from Water:
Henry LC: 3E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.654E+006 hours (1.522E+005 days)
Half-Life from Model Lake : 3.986E+007 hours (1.661E+006 days)
Removal In Wastewater Treatment:
Total removal: 93.99 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.21 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 0.138 5.54 1000
Water 12.3 900 1000
Soil 70.7 1.8e+003 1000
Sediment 16.9 8.1e+003 0
Persistence Time: 1.44e+003 hr