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: 007370-92-5



MOL FOR: C13 H24 O2

MOL WT : 212.34

------------------------------ 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) = 4.04

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

Boiling Pt (deg C): 326.16 (Adapted Stein & Brown method)

Melting Pt (deg C): 29.35 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00044 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0587 (Modified Grain method)

Subcooled liquid VP: 0.000481 mm Hg (25 deg C, Mod-Grain method)

: 0.0642 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 13.39

log Kow used: 4.04 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.5527 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.31E-003 atm-m3/mole (1.33E+002 Pa-m3/mole)

Group Method: 6.74E-004 atm-m3/mole (6.83E+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: 9.181E-006 atm-m3/mole (9.303E-001 Pa-m3/mole)

VP: 0.00044 mm Hg (source: MPBPVP)

WS: 13.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.04 (KowWin est)

Log Kaw used: -1.271 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.311

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9291

Biowin2 (Non-Linear Model) : 0.9973

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1685 (weeks )

Biowin4 (Primary Survey Model) : 4.0394 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8421

Biowin6 (MITI Non-Linear Model): 0.9204

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4720

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): 0.0641 Pa (0.000481 mm Hg)

Log Koa (Koawin est ): 5.311

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

Mackay model : 4.68E-005

Octanol/air (Koa) model: 5.02E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00169

Mackay model : 0.00373

Octanol/air (Koa) model: 4.02E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 17.6727 E-12 cm3/molecule-sec

Half-Life = 0.605 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.263 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00271 (Junge-Pankow, Mackay avg)

4.02E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1324 L/kg (MCI method)

Log Koc: 3.122 (MCI method)

Koc : 1242 L/kg (Kow method)

Log Koc: 3.094 (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 = 0.959 (BCF = 9.091 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8504 days (HL = 0.1411 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.761 (BCF = 57.62)

Log BAF Arnot-Gobas method (upper trophic) = 1.761 (BAF = 57.62)

log Kow used: 4.04 (estimated)

Volatilization from Water:

Henry LC: 0.000674 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.753 hours

Half-Life from Model Lake : 152.2 hours (6.342 days)

Removal In Wastewater Treatment:

Total removal: 44.84 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 28.97 percent

Total to Air: 15.58 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.13 14.5 1000

Water 17.8 360 1000

Soil 79.3 720 1000

Sediment 0.803 3.24e+003 0

Persistence Time: 398 hr

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