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: 1126-79-0

SMILES : O(c(cccc1)c1)CCCC

CHEM : Benzene, butoxy-

MOL FOR: C10 H14 O1

MOL WT : 150.22

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 3.55

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

Boiling Pt (deg C): 211.39 (Adapted Stein & Brown method)

Melting Pt (deg C): -6.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.218 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 29.1 (Mean VP of Antoine & Grain methods)

MP (exp database): -19.4 deg C

BP (exp database): 210 deg C

VP (exp database): 2.96E-01 mm Hg (3.95E+001 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 70.76

log Kow used: 3.55 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 29.67 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.46E-004 atm-m3/mole (7.56E+001 Pa-m3/mole)

Group Method: 1.17E-002 atm-m3/mole (1.19E+003 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: 6.090E-004 atm-m3/mole (6.170E+001 Pa-m3/mole)

VP: 0.218 mm Hg (source: MPBPVP)

WS: 70.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.55 (KowWin est)

Log Kaw used: -1.516 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.066

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0445

Biowin2 (Non-Linear Model) : 0.9988

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1294 (weeks )

Biowin4 (Primary Survey Model) : 3.9821 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6502

Biowin6 (MITI Non-Linear Model): 0.8054

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4358

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 39.5 Pa (0.296 mm Hg)

Log Koa (Koawin est ): 5.066

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

Mackay model : 7.6E-008

Octanol/air (Koa) model: 2.86E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.75E-006

Mackay model : 6.08E-006

Octanol/air (Koa) model: 2.29E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.8488 E-12 cm3/molecule-sec

Half-Life = 0.316 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.792 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.41E-006 (Junge-Pankow, Mackay avg)

2.29E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 565.4 L/kg (MCI method)

Log Koc: 2.752 (MCI method)

Koc : 880.3 L/kg (Kow method)

Log Koc: 2.945 (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 v3.00):

Log BCF from regression-based method = 2.007 (BCF = 101.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2487 days (HL = 0.564 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.161 (BCF = 144.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.161 (BAF = 144.8)

log Kow used: 3.55 (estimated)

Volatilization from Water:

Henry LC: 0.0117 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.312 hours

Half-Life from Model Lake : 117.1 hours (4.878 days)

Removal In Wastewater Treatment:

Total removal: 83.29 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 8.82 percent

Total to Air: 74.40 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5 7.58 1000

Water 42.4 360 1000

Soil 51.6 720 1000

Sediment 0.923 3.24e+003 0

Persistence Time: 147 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy