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: 014436-32-9

SMILES : OC(=O)CCCCCCCC=C

CHEM : 9-Decenoic acid

MOL FOR: C10 H18 O2

MOL WT : 170.25

------------------------------ 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) = 3.88

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

Boiling Pt (deg C): 277.55 (Adapted Stein & Brown method)

Melting Pt (deg C): 68.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0025 (Modified Grain method)

VP (Pa, 25 deg C) : 0.333 (Modified Grain method)

Subcooled liquid VP: 0.00637 mm Hg (25 deg C, Mod-Grain method)

: 0.85 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 74.1

log Kow used: 3.88 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 114.41 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 3.94E-006 atm-m3/mole (3.99E-001 Pa-m3/mole)

Group Method: 1.47E-006 atm-m3/mole (1.49E-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: 7.558E-006 atm-m3/mole (7.658E-001 Pa-m3/mole)

VP: 0.0025 mm Hg (source: MPBPVP)

WS: 74.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.88 (KowWin est)

Log Kaw used: -3.793 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.673

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7392

Biowin2 (Non-Linear Model) : 0.7746

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1875 (weeks )

Biowin4 (Primary Survey Model) : 3.9877 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7513

Biowin6 (MITI Non-Linear Model): 0.8626

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9842

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): 0.849 Pa (0.00637 mm Hg)

Log Koa (Koawin est ): 7.673

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

Mackay model : 3.53E-006

Octanol/air (Koa) model: 1.16E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000128

Mackay model : 0.000282

Octanol/air (Koa) model: 0.000924

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.8957 E-12 cm3/molecule-sec

Half-Life = 0.298 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.576 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.000205 (Junge-Pankow, Mackay avg)

0.000924 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 96.13 L/kg (MCI method)

Log Koc: 1.983 (MCI method)

Koc : 200.4 L/kg (Kow method)

Log Koc: 2.302 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0647 days (HL = 1.161 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.481 (BCF = 303)

Log BAF Arnot-Gobas method (upper trophic) = 2.482 (BAF = 303.2)

log Kow used: 3.88 (estimated)

Volatilization from Water:

Henry LC: 1.47E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 521 hours (21.71 days)

Half-Life from Model Lake : 5793 hours (241.4 days)

Removal In Wastewater Treatment:

Total removal: 24.96 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 24.61 percent

Total to Air: 0.06 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.557 5.45 1000

Water 28.2 360 1000

Soil 71.1 720 1000

Sediment 0.161 3.24e+003 0

Persistence Time: 440 hr

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