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: 13112-65-7


CHEM : 1,1-dibutoxypentane

MOL FOR: C13 H28 O2

MOL WT : 216.37

------------------------------ 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) = 4.64

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

Boiling Pt (deg C): 251.57 (Adapted Stein & Brown method)

Melting Pt (deg C): 12.90 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0407 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.43 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 3.902

log Kow used: 4.64 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 11.548 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 8.60E-004 atm-m3/mole (8.71E+001 Pa-m3/mole)

Group Method: 1.12E-003 atm-m3/mole (1.13E+002 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: 2.970E-003 atm-m3/mole (3.009E+002 Pa-m3/mole)

VP: 0.0407 mm Hg (source: MPBPVP)

WS: 3.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.64 (KowWin est)

Log Kaw used: -1.454 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.094

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2751

Biowin2 (Non-Linear Model) : 0.1992

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.5987 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3233 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4667

Biowin6 (MITI Non-Linear Model): 0.4723

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8023

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): 5.33 Pa (0.04 mm Hg)

Log Koa (Koawin est ): 6.094

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

Mackay model : 5.63E-007

Octanol/air (Koa) model: 3.05E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.03E-005

Mackay model : 4.5E-005

Octanol/air (Koa) model: 2.44E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.5652 E-12 cm3/molecule-sec

Half-Life = 0.285 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.417 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.27E-005 (Junge-Pankow, Mackay avg)

2.44E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 485.4 L/kg (MCI method)

Log Koc: 2.686 (MCI method)

Koc : 2044 L/kg (Kow method)

Log Koc: 3.310 (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 = 1.356 (BCF = 22.69 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1526 days (HL = 1.421 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.720 (BCF = 524.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.722 (BAF = 527.1)

log Kow used: 4.64 (estimated)

Volatilization from Water:

Henry LC: 0.00086 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.502 hours

Half-Life from Model Lake : 150.6 hours (6.277 days)

Removal In Wastewater Treatment:

Total removal: 69.01 percent

Total biodegradation: 0.50 percent

Total sludge adsorption: 58.54 percent

Total to Air: 9.96 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.93 6.83 1000

Water 23.7 208 1000

Soil 74.1 416 1000

Sediment 0.337 1.87e+003 0

Persistence Time: 227 hr

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