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: 10483-96-2
SMILES : CCCCCCCCC=CCCCCCCCC(=O)OP(=O)(O)OCC
CHEM :
MOL FOR: C20 H39 O5 P1
MOL WT : 390.50
------------------------------ 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) = 6.53
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 478.51 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.12 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.98E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 2.65E-008 (Modified Grain method)
Subcooled liquid VP: 8.42E-010 mm Hg (25 deg C, Mod-Grain method)
: 1.12E-007 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.009375
log Kow used: 6.53 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.073376 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.72E-008 atm-m3/mole (1.74E-003 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: 1.085E-008 atm-m3/mole (1.100E-003 Pa-m3/mole)
VP: 1.98E-010 mm Hg (source: MPBPVP)
WS: 0.00937 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.53 (KowWin est)
Log Kaw used: -6.153 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.683
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6701
Biowin2 (Non-Linear Model) : 0.3334
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6345 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5534 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3048
Biowin6 (MITI Non-Linear Model): 0.0989
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6020
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): 1.12E-007 Pa (8.42E-010 mm Hg)
Log Koa (Koawin est ): 12.683
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 26.7
Octanol/air (Koa) model: 1.18
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 1
Octanol/air (Koa) model: 0.99
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 93.9546 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 101.5546 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.366 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.264 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):
0.999 (Junge-Pankow, Mackay avg)
0.99 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.06E+004 L/kg (MCI method)
Log Koc: 4.025 (MCI method)
Koc : 2.577E+004 L/kg (Kow method)
Log Koc: 4.411 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.293E+004 L/mol-sec
Kb Half-Life at pH 8: 53.604 seconds
Kb Half-Life at pH 7: 8.934 minutes
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.773 (BCF = 59.34 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5519 days (HL = 3.564 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.928 (BCF = 846.5)
Log BAF Arnot-Gobas method (upper trophic) = 3.390 (BAF = 2454)
log Kow used: 6.53 (estimated)
Volatilization from Water:
Henry LC: 1.72E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.727E+004 hours (2803 days)
Half-Life from Model Lake : 7.34E+005 hours (3.058E+004 days)
Removal In Wastewater Treatment:
Total removal: 93.47 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.70 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 0.0454 1.19 1000
Water 15.6 900 1000
Soil 76.2 1.8e+003 1000
Sediment 8.2 8.1e+003 0
Persistence Time: 1.18e+003 hr