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: 18748-98-6
SMILES : C[Si](OCCCCCCCCCCCCCCCCCC)(C)C
CHEM : Silane, trimethyl(octadecyloxy)-
MOL FOR: C21 H46 O1 Si1
MOL WT : 342.69
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 10.19
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 357.81 (Adapted Stein & Brown method)
Melting Pt (deg C): 89.31 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.07E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00276 (Modified Grain method)
Subcooled liquid VP: 8.61E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0115 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.36e-005
log Kow used: 10.19 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00044086 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Silanes (alkoxy)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.00E+000 atm-m3/mole (2.03E+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: 6.863E-001 atm-m3/mole (6.954E+004 Pa-m3/mole)
VP: 2.07E-005 mm Hg (source: MPBPVP)
WS: 1.36E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.19 (KowWin est)
Log Kaw used: 1.913 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.277
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6928
Biowin2 (Non-Linear Model) : 0.4966
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7402 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6224 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5344
Biowin6 (MITI Non-Linear Model): 0.5030
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6419
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): 0.0115 Pa (8.61E-005 mm Hg)
Log Koa (Koawin est ): 8.277
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000261
Octanol/air (Koa) model: 4.65E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00935
Mackay model : 0.0205
Octanol/air (Koa) model: 0.0037
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 32.5762 E-12 cm3/molecule-sec
Half-Life = 0.328 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.940 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0149 (Junge-Pankow, Mackay avg)
0.0037 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.321E+006 L/kg (MCI method)
Log Koc: 6.366 (MCI method)
Koc : 6.974E+008 L/kg (Kow method)
Log Koc: 8.844 (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 = 1.964 (BCF = 92.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.1418 days (HL = 138.6 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.155 (BCF = 14.29)
Log BAF Arnot-Gobas method (upper trophic) = 4.575 (BAF = 3.762e+004)
log Kow used: 10.19 (estimated)
Volatilization from Water:
Henry LC: 2 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.89 hours
Half-Life from Model Lake : 175.8 hours (7.326 days)
Removal In Wastewater Treatment:
Total removal: 94.05 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.18 percent
Total to Air: 0.10 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.508 7.88 1000
Water 21.8 900 1000
Soil 73.8 1.8e+003 1000
Sediment 3.88 8.1e+003 0
Persistence Time: 853 hr