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 Num: 000143-08-8

SMILES : OCCCCCCCCC

CHEM : 1-Nonanol

MOL FOR: C9 H20 O1

MOL WT : 144.26

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

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 3.30

Log Kow (Exper. database match) = 3.77

Exper. Ref: TEWARI,YB ET AL. (1982)

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

Boiling Pt (deg C): 220.09 (Adapted Stein & Brown method)

Melting Pt (deg C): -3.15 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0328 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.38 (Mean VP of Antoine & Grain methods)

MP (exp database): -5 deg C

BP (exp database): 213.3 deg C

VP (exp database): 2.27E-02 mm Hg (3.03E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 156.8

log Kow used: 3.77 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 140 mg/L (25 deg C)

Exper. Ref: BARTON,AFM (1984)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 246.7 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.12E-005 atm-m3/mole (4.17E+000 Pa-m3/mole)

Group Method: 5.48E-005 atm-m3/mole (5.55E+000 Pa-m3/mole)

Exper Database: 3.08E-05 atm-m3/mole (3.12E+000 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: 3.971E-005 atm-m3/mole (4.023E+000 Pa-m3/mole)

VP: 0.0328 mm Hg (source: MPBPVP)

WS: 157 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.77 (exp database)

Log Kaw used: -2.900 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.670

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9460

Biowin2 (Non-Linear Model) : 0.9806

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3387 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0381 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8398

Biowin6 (MITI Non-Linear Model): 0.9438

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7795

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): 3.03 Pa (0.0227 mm Hg)

Log Koa (Koawin est ): 6.670

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

Mackay model : 9.91E-007

Octanol/air (Koa) model: 1.15E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.58E-005

Mackay model : 7.93E-005

Octanol/air (Koa) model: 9.18E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.9553 E-12 cm3/molecule-sec

Half-Life = 0.766 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.197 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.75E-005 (Junge-Pankow, Mackay avg)

9.18E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 69.77 L/kg (MCI method)

Log Koc: 1.844 (MCI method)

Koc : 397.2 L/kg (Kow method)

Log Koc: 2.599 (Kow method)

Experimental Log Koc: 1.89 (database)

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 = 2.154 (BCF = 142.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3371 days (HL = 0.4601 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.171 (BCF = 148.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.171 (BAF = 148.2)

log Kow used: 3.77 (expkow database)

Volatilization from Water:

Henry LC: 3.08E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 24.06 hours (1.002 days)

Half-Life from Model Lake : 363.2 hours (15.13 days)

Removal In Wastewater Treatment:

Total removal: 21.94 percent

Total biodegradation: 0.24 percent

Total sludge adsorption: 20.37 percent

Total to Air: 1.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.92 18.4 1000

Water 29.6 208 1000

Soil 67.4 416 1000

Sediment 0.122 1.87e+003 0

Persistence Time: 264 hr

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