BT

The Good Scents Company Information Listings

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: 3982-82-9

SMILES : C[Si](O[Si](c1ccccc1)(c2ccccc2)C)(O[Si](c3ccccc3)(c4ccccc4)C)C

CHEM : Trisiloxane, 1,3,3,5-tetramethyl-1,1,5,5-tetraphenyl-

MOL FOR: C28 H32 O2 Si3

MOL WT : 484.82

------------------------------ 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) = 11.57

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 496.68 (Adapted Stein & Brown method)

Melting Pt (deg C): 192.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.86E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 7.82E-008 (Modified Grain method)

Subcooled liquid VP: 3.33E-008 mm Hg (25 deg C, Mod-Grain method)

: 4.44E-006 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 1.553e-006

log Kow used: 11.57 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.8482e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 6.01E-006 atm-m3/mole (6.09E-001 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: 2.407E-004 atm-m3/mole (2.439E+001 Pa-m3/mole)

VP: 5.86E-010 mm Hg (source: MPBPVP)

WS: 1.55E-006 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 11.57 (KowWin est)

Log Kaw used: -3.610 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.180

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0291

Biowin2 (Non-Linear Model) : 0.9651

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2158 (months )

Biowin4 (Primary Survey Model) : 3.1678 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.5642

Biowin6 (MITI Non-Linear Model): 0.0001

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5181

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): 4.44E-006 Pa (3.33E-008 mm Hg)

Log Koa (Koawin est ): 15.180

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.676

Octanol/air (Koa) model: 372

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.961

Mackay model : 0.982

Octanol/air (Koa) model: 1

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.3978 E-12 cm3/molecule-sec

Half-Life = 1.274 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 15.284 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.971 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7.154E+008 L/kg (MCI method)

Log Koc: 8.855 (MCI method)

Koc : 1.1E+010 L/kg (Kow method)

Log Koc: 10.041 (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 = 1.885 (BCF = 76.67 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.9600 days (HL = 911.9 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.389 (BCF = 2.451)

Log BAF Arnot-Gobas method (upper trophic) = 3.855 (BAF = 7154)

log Kow used: 11.57 (estimated)

Volatilization from Water:

Henry LC: 6.01E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 216.7 hours (9.031 days)

Half-Life from Model Lake : 2549 hours (106.2 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 0.194 30.6 1000

Water 7.4 1.44e+003 1000

Soil 70.8 2.88e+003 1000

Sediment 21.6 1.3e+004 0

Persistence Time: 2.79e+003 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy