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: 63148-62-9

SMILES : [Si](C)(C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)(C)

CHEM : Siloxanes and Silicones, di-Me

MOL FOR: C10 H30 O3 Si4

MOL WT : 310.69

------------------------------ 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) = 8.16

Log Kow (Exper. database match) = 8.21

Exper. Ref: SEHSC (2009)

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

Boiling Pt (deg C): 184.70 (Adapted Stein & Brown method)

Melting Pt (deg C): -36.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.486 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 64.8 (Mean VP of Antoine & Grain methods)

MP (exp database): -76 deg C

BP (exp database): 194 deg C

VP (exp database): 3.75E-01 mm Hg (5.00E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.002918

log Kow used: 8.21 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.00674 mg/L (25 deg C)

Exper. Ref: KOCHETKOV,A ET AL. (2001)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0026843 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 5.74E-001 atm-m3/mole (5.81E+004 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 1.70E+01 atm-m3/mole (1.72E+006 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 6.809E+001 atm-m3/mole (6.899E+006 Pa-m3/mole)

VP: 0.486 mm Hg (source: MPBPVP)

WS: 0.00292 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.21 (exp database)

Log Kaw used: 2.842 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.368

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5996

Biowin2 (Non-Linear Model) : 0.1973

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5126 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3995 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2081

Biowin6 (MITI Non-Linear Model): 0.0019

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0404

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): 50 Pa (0.375 mm Hg)

Log Koa (Koawin est ): 5.368

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

Mackay model : 6E-008

Octanol/air (Koa) model: 5.73E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.17E-006

Mackay model : 4.8E-006

Octanol/air (Koa) model: 4.58E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.4960 E-12 cm3/molecule-sec

Half-Life = 7.150 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 85.797 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.48E-006 (Junge-Pankow, Mackay avg)

4.58E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.052E+004 L/kg (MCI method)

Log Koc: 4.312 (MCI method)

Koc : 1.334E+007 L/kg (Kow method)

Log Koc: 7.125 (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 = 3.531 (BCF = 3397 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.6405 days (HL = 437.1 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.245 (BCF = 1756)

Log BAF Arnot-Gobas method (upper trophic) = 6.765 (BAF = 5.82e+006)

log Kow used: 8.21 (expkow database)

Volatilization from Water:

Henry LC: 17 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.799 hours

Half-Life from Model Lake : 167.4 hours (6.976 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 97.97 percent

Total biodegradation: 0.38 percent

Total sludge adsorption: 71.21 percent

Total to Air: 26.38 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 21.3 172 1000

Water 68.3 900 1000

Soil 1.28 1.8e+003 1000

Sediment 9.09 8.1e+003 0

Persistence Time: 237 hr

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