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: 68527-05-9


CHEM : Octene, hydroformylation products

MOL FOR: C9 H18 O1

MOL WT : 142.24

------------------------------ 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) = 3.27

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

Boiling Pt (deg C): 196.48 (Adapted Stein & Brown method)

Melting Pt (deg C): -19.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.564 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 75.2 (Mean VP of Antoine & Grain methods)

BP (exp database): 191 deg C

VP (exp database): 3.70E-01 mm Hg (4.93E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 131.6

log Kow used: 3.27 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 96 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & HE,Y (2003)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 268 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 4.93E-004 atm-m3/mole (5.00E+001 Pa-m3/mole)

Group Method: 6.74E-004 atm-m3/mole (6.83E+001 Pa-m3/mole)

Exper Database: 7.34E-04 atm-m3/mole (7.44E+001 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: 8.021E-004 atm-m3/mole (8.127E+001 Pa-m3/mole)

VP: 0.564 mm Hg (source: MPBPVP)

WS: 132 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.27 (KowWin est)

Log Kaw used: -1.523 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.793

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0729

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2055 (weeks )

Biowin4 (Primary Survey Model) : 4.1082 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0467

Biowin6 (MITI Non-Linear Model): 0.9851

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7433

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): 49.3 Pa (0.37 mm Hg)

Log Koa (Koawin est ): 4.793

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

Mackay model : 6.08E-008

Octanol/air (Koa) model: 1.52E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.2E-006

Mackay model : 4.86E-006

Octanol/air (Koa) model: 1.22E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.0703 E-12 cm3/molecule-sec

Half-Life = 0.323 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.881 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.53E-006 (Junge-Pankow, Mackay avg)

1.22E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 36.05 L/kg (MCI method)

Log Koc: 1.557 (MCI method)

Koc : 319.6 L/kg (Kow method)

Log Koc: 2.505 (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 = 1.826 (BCF = 66.95 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2012 days (HL = 0.6292 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.052 (BCF = 112.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.052 (BAF = 112.7)

log Kow used: 3.27 (estimated)

Volatilization from Water:

Henry LC: 0.000734 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.168 hours

Half-Life from Model Lake : 123.7 hours (5.152 days)

Removal In Wastewater Treatment:

Total removal: 29.83 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 7.60 percent

Total to Air: 22.11 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.17 7.76 1000

Water 43.5 360 1000

Soil 52.2 720 1000

Sediment 0.145 3.24e+003 0

Persistence Time: 169 hr

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